4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide

C24H22ClN9O2 — CID 171823659

IUPAC4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN1CCN(N(Cc2cn3ccc(Cl)cc3n2)C(=O)c2ccc3nc(N)c4cnn(C)c4c3c2)C1=O
InChIInChI=1S/C24H22ClN9O2/c1-30-7-8-33(24(30)36)34(13-16-12-32-6-5-15(25)10-20(32)28-16)23(35)14-3-4-19-17(9-14)21-18(22(26)29-19)11-27-31(21)2/h3-6,9-12H,7-8,13H2,1-2H3,(H2,26,29)
InChIKeyMQEVJBCAKKBGSV-UHFFFAOYSA-N
MW503.95 g/mol
LogP2.93
Rot. Bonds4

About 4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 171823659) has the molecular formula C24H22ClN9O2 and a molecular weight of 503.95 g/mol. Its IUPAC name is 4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID171823659
Molecular FormulaC24H22ClN9O2
Molecular Weight503.95 g/mol
Exact Mass503.16
IUPAC Name4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN1CCN(N(Cc2cn3ccc(Cl)cc3n2)C(=O)c2ccc3nc(N)c4cnn(C)c4c3c2)C1=O
InChIInChI=1S/C24H22ClN9O2/c1-30-7-8-33(24(30)36)34(13-16-12-32-6-5-15(25)10-20(32)28-16)23(35)14-3-4-19-17(9-14)21-18(22(26)29-19)11-27-31(21)2/h3-6,9-12H,7-8,13H2,1-2H3,(H2,26,29)
InChIKeyMQEVJBCAKKBGSV-UHFFFAOYSA-N
XLogP2.93
TPSA117.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.95
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide (CID 171823659) is 4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide is CN1CCN(N(Cc2cn3ccc(Cl)cc3n2)C(=O)c2ccc3nc(N)c4cnn(C)c4c3c2)C1=O.
What is the InChIKey of 4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is MQEVJBCAKKBGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN9O2/c1-30-7-8-33(24(30)36)34(13-16-12-32-6-5-15(25)10-20(32)28-16)23(35)14-3-4-19-17(9-14)21-18(22(26)29-19)11-27-31(21)2/h3-6,9-12H,7-8,13H2,1-2H3,(H2,26,29).
What are the key properties of 4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 503.95 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-N-(3-methyl-2-oxoimidazolidin-1-yl)pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 171823659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).