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2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid

C25H22ClN7O3 — CID 139487949

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid
SMILESO=C(O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12
InChIInChI=1S/C25H22ClN7O3/c26-19-3-4-31-14-28-21(22(31)7-19)9-27-25(36)18-8-29-33(11-18)13-20-12-32-10-17(15-1-2-15)5-16(6-23(34)35)24(32)30-20/h3-5,7-8,10-12,14-15H,1-2,6,9,13H2,(H,27,36)(H,34,35)
InChIKeyCCHHDRUJCLOUSA-UHFFFAOYSA-N
MW503.95 g/mol
LogP3.31
Rot. Bonds8

About 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid

2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid (PubChem CID 139487949) has the molecular formula C25H22ClN7O3 and a molecular weight of 503.95 g/mol. Its IUPAC name is 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid
PubChem CID139487949
Molecular FormulaC25H22ClN7O3
Molecular Weight503.95 g/mol
Exact Mass503.15
IUPAC Name2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid
SMILESO=C(O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12
InChIInChI=1S/C25H22ClN7O3/c26-19-3-4-31-14-28-21(22(31)7-19)9-27-25(36)18-8-29-33(11-18)13-20-12-32-10-17(15-1-2-15)5-16(6-23(34)35)24(32)30-20/h3-5,7-8,10-12,14-15H,1-2,6,9,13H2,(H,27,36)(H,34,35)
InChIKeyCCHHDRUJCLOUSA-UHFFFAOYSA-N
XLogP3.31
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.95
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid?
The IUPAC name of 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid (CID 139487949) is 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid.
What is the SMILES notation for 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid?
The canonical SMILES for 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid is O=C(O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12.
What is the InChIKey of 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid?
The InChIKey is CCHHDRUJCLOUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN7O3/c26-19-3-4-31-14-28-21(22(31)7-19)9-27-25(36)18-8-29-33(11-18)13-20-12-32-10-17(15-1-2-15)5-16(6-23(34)35)24(32)30-20/h3-5,7-8,10-12,14-15H,1-2,6,9,13H2,(H,27,36)(H,34,35).
What are the key properties of 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid?
2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid has a molecular weight of 503.95 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetic acid is sourced from PubChem (CID 139487949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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