[3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

C111H111Cl7N28O7 — CID 164986189

IUPAC[3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESCC1CCN(C(=O)c2cnc3c(c(Cl)cn3-c3cnccn3)c2Cl)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3cnccn3)c2Cl)CC1.COc1cncc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)c1.Cc1nc2c(cc1C(=O)N1CCC(C)CC1)c(Cl)cn2-c1cnccn1.Cc1nc2c(ccn2-c2cnccn2)cc1C(=O)N1CCC(C)CC1.O=C(c1cnc2c(c1)c(Cl)cn2-c1cncc(Cl)c1)N1CCCCC1
InChIInChI=1S/C19H20ClN5O.C19H19ClN4O2.C19H21N5O.C18H17Cl2N5O.C18H16Cl2N4O.C18H18ClN5O/c1-12-3-7-24(8-4-12)19(26)14-9-15-16(20)11-25(18(15)23-13(14)2)17-10-21-5-6-22-17;1-26-15-8-14(10-21-11-15)24-12-17(20)16-7-13(9-22-18(16)24)19(25)23-5-3-2-4-6-23;1-13-3-8-23(9-4-13)19(25)16-11-15-5-10-24(18(15)22-14(16)2)17-12-20-6-7-21-17;1-11-2-6-24(7-3-11)18(26)12-8-23-17-15(16(12)20)13(19)10-25(17)14-9-21-4-5-22-14;19-13-7-14(10-21-9-13)24-11-16(20)15-6-12(8-22-17(15)24)18(25)23-4-2-1-3-5-23;1-12-2-7-23(8-3-12)18(25)14-10-22-17-13(16(14)19)4-9-24(17)15-11-20-5-6-21-15/h5-6,9-12H,3-4,7-8H2,1-2H3;7-12H,2-6H2,1H3;5-7,10-13H,3-4,8-9H2,1-2H3;4-5,8-11H,2-3,6-7H2,1H3;6-11H,1-5H2;4-6,9-12H,2-3,7-8H2,1H3
InChIKeyGEQLUIHIGJQVKB-UHFFFAOYSA-N
MW2197.47 g/mol
LogP22.04
Rot. Bonds13

About [3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

[3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (PubChem CID 164986189) has the molecular formula C111H111Cl7N28O7 and a molecular weight of 2197.47 g/mol. Its IUPAC name is [3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
PubChem CID164986189
Molecular FormulaC111H111Cl7N28O7
Molecular Weight2197.47 g/mol
Exact Mass2192.70
IUPAC Name[3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESCC1CCN(C(=O)c2cnc3c(c(Cl)cn3-c3cnccn3)c2Cl)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3cnccn3)c2Cl)CC1.COc1cncc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)c1.Cc1nc2c(cc1C(=O)N1CCC(C)CC1)c(Cl)cn2-c1cnccn1.Cc1nc2c(ccn2-c2cnccn2)cc1C(=O)N1CCC(C)CC1.O=C(c1cnc2c(c1)c(Cl)cn2-c1cncc(Cl)c1)N1CCCCC1
InChIInChI=1S/C19H20ClN5O.C19H19ClN4O2.C19H21N5O.C18H17Cl2N5O.C18H16Cl2N4O.C18H18ClN5O/c1-12-3-7-24(8-4-12)19(26)14-9-15-16(20)11-25(18(15)23-13(14)2)17-10-21-5-6-22-17;1-26-15-8-14(10-21-11-15)24-12-17(20)16-7-13(9-22-18(16)24)19(25)23-5-3-2-4-6-23;1-13-3-8-23(9-4-13)19(25)16-11-15-5-10-24(18(15)22-14(16)2)17-12-20-6-7-21-17;1-11-2-6-24(7-3-11)18(26)12-8-23-17-15(16(12)20)13(19)10-25(17)14-9-21-4-5-22-14;19-13-7-14(10-21-9-13)24-11-16(20)15-6-12(8-22-17(15)24)18(25)23-4-2-1-3-5-23;1-12-2-7-23(8-3-12)18(25)14-10-22-17-13(16(14)19)4-9-24(17)15-11-20-5-6-21-15/h5-6,9-12H,3-4,7-8H2,1-2H3;7-12H,2-6H2,1H3;5-7,10-13H,3-4,8-9H2,1-2H3;4-5,8-11H,2-3,6-7H2,1H3;6-11H,1-5H2;4-6,9-12H,2-3,7-8H2,1H3
InChIKeyGEQLUIHIGJQVKB-UHFFFAOYSA-N
XLogP22.04
TPSA366.91 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds13
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002197.47
LogP ≤ 522.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze [3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The IUPAC name of [3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (CID 164986189) is [3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.
What is the SMILES notation for [3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The canonical SMILES for [3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is CC1CCN(C(=O)c2cnc3c(c(Cl)cn3-c3cnccn3)c2Cl)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3cnccn3)c2Cl)CC1.COc1cncc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)c1.Cc1nc2c(cc1C(=O)N1CCC(C)CC1)c(Cl)cn2-c1cnccn1.Cc1nc2c(ccn2-c2cnccn2)cc1C(=O)N1CCC(C)CC1.O=C(c1cnc2c(c1)c(Cl)cn2-c1cncc(Cl)c1)N1CCCCC1.
What is the InChIKey of [3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The InChIKey is GEQLUIHIGJQVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O.C19H19ClN4O2.C19H21N5O.C18H17Cl2N5O.C18H16Cl2N4O.C18H18ClN5O/c1-12-3-7-24(8-4-12)19(26)14-9-15-16(20)11-25(18(15)23-13(14)2)17-10-21-5-6-22-17;1-26-15-8-14(10-21-11-15)24-12-17(20)16-7-13(9-22-18(16)24)19(25)23-5-3-2-4-6-23;1-13-3-8-23(9-4-13)19(25)16-11-15-5-10-24(18(15)22-14(16)2)17-12-20-6-7-21-17;1-11-2-6-24(7-3-11)18(26)12-8-23-17-15(16(12)20)13(19)10-25(17)14-9-21-4-5-22-14;19-13-7-14(10-21-9-13)24-11-16(20)15-6-12(8-22-17(15)24)18(25)23-4-2-1-3-5-23;1-12-2-7-23(8-3-12)18(25)14-10-22-17-13(16(14)19)4-9-24(17)15-11-20-5-6-21-15/h5-6,9-12H,3-4,7-8H2,1-2H3;7-12H,2-6H2,1H3;5-7,10-13H,3-4,8-9H2,1-2H3;4-5,8-11H,2-3,6-7H2,1H3;6-11H,1-5H2;4-6,9-12H,2-3,7-8H2,1H3.
What are the key properties of [3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
[3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone has a molecular weight of 2197.47 g/mol, XLogP of 22.04, 13 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 164986189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).