4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

C118H126ClFN20O11S — CID 158551109

IUPAC4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene
SMILESC1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2cccc(n2)-c2cccc(c2)COC1.CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1.C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CCC4=O.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc([C@H](C)Nc2ncc(Cl)c(Cc3cc(C)[nH]n3)n2)nc1
InChIInChI=1S/C29H33N3O3.C28H37N5O3S.C27H22N2O4.C18H16FN3O.C16H18ClN7/c1-2-14-32(13-1)15-18-35-28-12-11-26-20-25(28)22-34-17-4-3-16-33-21-23-7-5-8-24(19-23)27-9-6-10-29(30-26)31-27;1-21-19-29-27(31-22-10-12-24(13-11-22)36-17-16-33-14-5-6-15-33)32-26(21)30-23-8-7-9-25(18-23)37(34,35)20-28(2,3)4;1-26-27(32,13-30)12-20(33-26)28-17-8-4-2-6-14(17)23-22-16(10-11-19(22)31)21-15-7-3-5-9-18(15)29(26)25(21)24(23)28;1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23;1-9-6-18-15(19-7-9)11(3)21-16-20-8-13(17)14(22-16)5-12-4-10(2)23-24-12/h3-12,19-20H,1-2,13-18,21-22H2,(H,30,31);7-13,18-19H,5-6,14-17,20H2,1-4H3,(H2,29,30,31,32);2-9,20,30,32H,10-13H2,1H3;4-8H,1-3H3,(H,20,23)(H,21,22);4,6-8,11H,5H2,1-3H3,(H,23,24)(H,20,21,22)/t;;20-,26+,27+;;11-/m..1.0/s1
InChIKeyHPSOQCNURWELIG-MLWDKJDGSA-N
MW2086.95 g/mol
LogP22.51
Rot. Bonds20

About 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene (PubChem CID 158551109) has the molecular formula C118H126ClFN20O11S and a molecular weight of 2086.95 g/mol. Its IUPAC name is 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene.

Molecular Properties

Compound Name4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene
PubChem CID158551109
Molecular FormulaC118H126ClFN20O11S
Molecular Weight2086.95 g/mol
Exact Mass2084.93
IUPAC Name4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene
SMILESC1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2cccc(n2)-c2cccc(c2)COC1.CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1.C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CCC4=O.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc([C@H](C)Nc2ncc(Cl)c(Cc3cc(C)[nH]n3)n2)nc1
InChIInChI=1S/C29H33N3O3.C28H37N5O3S.C27H22N2O4.C18H16FN3O.C16H18ClN7/c1-2-14-32(13-1)15-18-35-28-12-11-26-20-25(28)22-34-17-4-3-16-33-21-23-7-5-8-24(19-23)27-9-6-10-29(30-26)31-27;1-21-19-29-27(31-22-10-12-24(13-11-22)36-17-16-33-14-5-6-15-33)32-26(21)30-23-8-7-9-25(18-23)37(34,35)20-28(2,3)4;1-26-27(32,13-30)12-20(33-26)28-17-8-4-2-6-14(17)23-22-16(10-11-19(22)31)21-15-7-3-5-9-18(15)29(26)25(21)24(23)28;1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23;1-9-6-18-15(19-7-9)11(3)21-16-20-8-13(17)14(22-16)5-12-4-10(2)23-24-12/h3-12,19-20H,1-2,13-18,21-22H2,(H,30,31);7-13,18-19H,5-6,14-17,20H2,1-4H3,(H2,29,30,31,32);2-9,20,30,32H,10-13H2,1H3;4-8H,1-3H3,(H,20,23)(H,21,22);4,6-8,11H,5H2,1-3H3,(H,23,24)(H,20,21,22)/t;;20-,26+,27+;;11-/m..1.0/s1
InChIKeyHPSOQCNURWELIG-MLWDKJDGSA-N
XLogP22.51
TPSA382.73 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002086.95
LogP ≤ 522.51
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene?
The IUPAC name of 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene (CID 158551109) is 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene.
What is the SMILES notation for 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene?
The canonical SMILES for 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene is C1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2cccc(n2)-c2cccc(c2)COC1.CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1.C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CCC4=O.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc([C@H](C)Nc2ncc(Cl)c(Cc3cc(C)[nH]n3)n2)nc1.
What is the InChIKey of 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene?
The InChIKey is HPSOQCNURWELIG-MLWDKJDGSA-N. The full InChI is InChI=1S/C29H33N3O3.C28H37N5O3S.C27H22N2O4.C18H16FN3O.C16H18ClN7/c1-2-14-32(13-1)15-18-35-28-12-11-26-20-25(28)22-34-17-4-3-16-33-21-23-7-5-8-24(19-23)27-9-6-10-29(30-26)31-27;1-21-19-29-27(31-22-10-12-24(13-11-22)36-17-16-33-14-5-6-15-33)32-26(21)30-23-8-7-9-25(18-23)37(34,35)20-28(2,3)4;1-26-27(32,13-30)12-20(33-26)28-17-8-4-2-6-14(17)23-22-16(10-11-19(22)31)21-15-7-3-5-9-18(15)29(26)25(21)24(23)28;1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23;1-9-6-18-15(19-7-9)11(3)21-16-20-8-13(17)14(22-16)5-12-4-10(2)23-24-12/h3-12,19-20H,1-2,13-18,21-22H2,(H,30,31);7-13,18-19H,5-6,14-17,20H2,1-4H3,(H2,29,30,31,32);2-9,20,30,32H,10-13H2,1H3;4-8H,1-3H3,(H,20,23)(H,21,22);4,6-8,11H,5H2,1-3H3,(H,23,24)(H,20,21,22)/t;;20-,26+,27+;;11-/m..1.0/s1.
What are the key properties of 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene?
4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene has a molecular weight of 2086.95 g/mol, XLogP of 22.51, 20 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one;5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1S)-1-(5-methylpyrimidin-2-yl)ethyl]pyrimidin-2-amine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-14,19-diazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one;11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-7,27-diazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene is sourced from PubChem (CID 158551109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).