15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one

C114H84Cl4N32O8 — CID 159162164

IUPAC15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one
SMILESCOCc1nnc2n1Cc1c(C#Cc3ccc(=O)n(C)c3)ncn1-c1ccc(C)cc1-2.COCc1nnc2n1Cc1c(C#Cc3ccc(=O)n(C)c3)ncn1-c1ccc(Cl)cc1-2.COCc1nnc2n1Cc1c(C#Cc3ccc4nccn4c3)ncn1-c1ccc(Cl)cc1-2.COCc1nnc2n1Cc1c(C#Cc3ccn4ccnc4c3)ncn1-c1ccc(Cl)cc1-2.COCc1nnc2n1Cc1c(C#Cc3cnc4occc4c3)ncn1-c1ccc(Cl)cc1-2
InChIInChI=1S/2C23H16ClN7O.C23H15ClN6O2.C23H20N6O2.C22H17ClN6O2/c1-32-13-22-27-28-23-17-10-16(24)4-6-19(17)31-14-26-18(20(31)12-30(22)23)5-2-15-3-7-21-25-8-9-29(21)11-15;1-32-13-22-27-28-23-17-11-16(24)3-5-19(17)31-14-26-18(20(31)12-30(22)23)4-2-15-6-8-29-9-7-25-21(29)10-15;1-31-12-21-27-28-22-17-9-16(24)3-5-19(17)30-13-26-18(20(30)11-29(21)22)4-2-14-8-15-6-7-32-23(15)25-10-14;1-15-4-8-19-17(10-15)23-26-25-21(13-31-3)28(23)12-20-18(24-14-29(19)20)7-5-16-6-9-22(30)27(2)11-16;1-27-10-14(4-8-21(27)30)3-6-17-19-11-28-20(12-31-2)25-26-22(28)16-9-15(23)5-7-18(16)29(19)13-24-17/h3-4,6-11,14H,12-13H2,1H3;3,5-11,14H,12-13H2,1H3;3,5-10,13H,11-12H2,1H3;4,6,8-11,14H,12-13H2,1-3H3;4-5,7-10,13H,11-12H2,1-2H3
InChIKeyKKPVCVRYQLMVLM-UHFFFAOYSA-N
MW2171.95 g/mol
LogP14.95
Rot. Bonds10

About 15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one

15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one (PubChem CID 159162164) has the molecular formula C114H84Cl4N32O8 and a molecular weight of 2171.95 g/mol. Its IUPAC name is 15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one
PubChem CID159162164
Molecular FormulaC114H84Cl4N32O8
Molecular Weight2171.95 g/mol
Exact Mass2168.59
IUPAC Name15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one
SMILESCOCc1nnc2n1Cc1c(C#Cc3ccc(=O)n(C)c3)ncn1-c1ccc(C)cc1-2.COCc1nnc2n1Cc1c(C#Cc3ccc(=O)n(C)c3)ncn1-c1ccc(Cl)cc1-2.COCc1nnc2n1Cc1c(C#Cc3ccc4nccn4c3)ncn1-c1ccc(Cl)cc1-2.COCc1nnc2n1Cc1c(C#Cc3ccn4ccnc4c3)ncn1-c1ccc(Cl)cc1-2.COCc1nnc2n1Cc1c(C#Cc3cnc4occc4c3)ncn1-c1ccc(Cl)cc1-2
InChIInChI=1S/2C23H16ClN7O.C23H15ClN6O2.C23H20N6O2.C22H17ClN6O2/c1-32-13-22-27-28-23-17-10-16(24)4-6-19(17)31-14-26-18(20(31)12-30(22)23)5-2-15-3-7-21-25-8-9-29(21)11-15;1-32-13-22-27-28-23-17-11-16(24)3-5-19(17)31-14-26-18(20(31)12-30(22)23)4-2-15-6-8-29-9-7-25-21(29)10-15;1-31-12-21-27-28-22-17-9-16(24)3-5-19(17)30-13-26-18(20(30)11-29(21)22)4-2-14-8-15-6-7-32-23(15)25-10-14;1-15-4-8-19-17(10-15)23-26-25-21(13-31-3)28(23)12-20-18(24-14-29(19)20)7-5-16-6-9-22(30)27(2)11-16;1-27-10-14(4-8-21(27)30)3-6-17-19-11-28-20(12-31-2)25-26-22(28)16-9-15(23)5-7-18(16)29(19)13-24-17/h3-4,6-11,14H,12-13H2,1H3;3,5-11,14H,12-13H2,1H3;3,5-10,13H,11-12H2,1H3;4,6,8-11,14H,12-13H2,1-3H3;4-5,7-10,13H,11-12H2,1-2H3
InChIKeyKKPVCVRYQLMVLM-UHFFFAOYSA-N
XLogP14.95
TPSA393.43 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds10
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002171.95
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one?
The IUPAC name of 15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one (CID 159162164) is 15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one.
What is the SMILES notation for 15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one?
The canonical SMILES for 15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one is COCc1nnc2n1Cc1c(C#Cc3ccc(=O)n(C)c3)ncn1-c1ccc(C)cc1-2.COCc1nnc2n1Cc1c(C#Cc3ccc(=O)n(C)c3)ncn1-c1ccc(Cl)cc1-2.COCc1nnc2n1Cc1c(C#Cc3ccc4nccn4c3)ncn1-c1ccc(Cl)cc1-2.COCc1nnc2n1Cc1c(C#Cc3ccn4ccnc4c3)ncn1-c1ccc(Cl)cc1-2.COCc1nnc2n1Cc1c(C#Cc3cnc4occc4c3)ncn1-c1ccc(Cl)cc1-2.
What is the InChIKey of 15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one?
The InChIKey is KKPVCVRYQLMVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H16ClN7O.C23H15ClN6O2.C23H20N6O2.C22H17ClN6O2/c1-32-13-22-27-28-23-17-10-16(24)4-6-19(17)31-14-26-18(20(31)12-30(22)23)5-2-15-3-7-21-25-8-9-29(21)11-15;1-32-13-22-27-28-23-17-11-16(24)3-5-19(17)31-14-26-18(20(31)12-30(22)23)4-2-15-6-8-29-9-7-25-21(29)10-15;1-31-12-21-27-28-22-17-9-16(24)3-5-19(17)30-13-26-18(20(30)11-29(21)22)4-2-14-8-15-6-7-32-23(15)25-10-14;1-15-4-8-19-17(10-15)23-26-25-21(13-31-3)28(23)12-20-18(24-14-29(19)20)7-5-16-6-9-22(30)27(2)11-16;1-27-10-14(4-8-21(27)30)3-6-17-19-11-28-20(12-31-2)25-26-22(28)16-9-15(23)5-7-18(16)29(19)13-24-17/h3-4,6-11,14H,12-13H2,1H3;3,5-11,14H,12-13H2,1H3;3,5-10,13H,11-12H2,1H3;4,6,8-11,14H,12-13H2,1-3H3;4-5,7-10,13H,11-12H2,1-2H3.
What are the key properties of 15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one?
15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one has a molecular weight of 2171.95 g/mol, XLogP of 14.95, 10 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-5-(2-imidazo[1,2-a]pyridin-6-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;15-chloro-5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]-1-methylpyridin-2-one is sourced from PubChem (CID 159162164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).