3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide

C24H26ClN11O — CID 166485005

IUPAC3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2cnc(N3C[C@H]4C[C@@H]3CN4C)c(Cl)c2)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C24H26ClN11O/c1-27-22-19(15-7-28-8-17-18(15)30-11-35(17)3)32-20(21(26)37)23(33-22)31-12-4-16(25)24(29-6-12)36-10-13-5-14(36)9-34(13)2/h4,6-8,11,13-14H,5,9-10H2,1-3H3,(H2,26,37)(H2,27,31,33)/t13-,14-/m1/s1
InChIKeyAEFPMWIKNFWCNU-ZIAGYGMSSA-N
MW520.00 g/mol
LogP2.25
Rot. Bonds6

About 3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide

3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (PubChem CID 166485005) has the molecular formula C24H26ClN11O and a molecular weight of 520.00 g/mol. Its IUPAC name is 3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
PubChem CID166485005
Molecular FormulaC24H26ClN11O
Molecular Weight520.00 g/mol
Exact Mass519.20
IUPAC Name3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCNc1nc(Nc2cnc(N3C[C@H]4C[C@@H]3CN4C)c(Cl)c2)c(C(N)=O)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C24H26ClN11O/c1-27-22-19(15-7-28-8-17-18(15)30-11-35(17)3)32-20(21(26)37)23(33-22)31-12-4-16(25)24(29-6-12)36-10-13-5-14(36)9-34(13)2/h4,6-8,11,13-14H,5,9-10H2,1-3H3,(H2,26,37)(H2,27,31,33)/t13-,14-/m1/s1
InChIKeyAEFPMWIKNFWCNU-ZIAGYGMSSA-N
XLogP2.25
TPSA143.01 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.00
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (CID 166485005) is 3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is CNc1nc(Nc2cnc(N3C[C@H]4C[C@@H]3CN4C)c(Cl)c2)c(C(N)=O)nc1-c1cncc2c1ncn2C.
What is the InChIKey of 3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The InChIKey is AEFPMWIKNFWCNU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C24H26ClN11O/c1-27-22-19(15-7-28-8-17-18(15)30-11-35(17)3)32-20(21(26)37)23(33-22)31-12-4-16(25)24(29-6-12)36-10-13-5-14(36)9-34(13)2/h4,6-8,11,13-14H,5,9-10H2,1-3H3,(H2,26,37)(H2,27,31,33)/t13-,14-/m1/s1.
What are the key properties of 3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide has a molecular weight of 520.00 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166485005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).