6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid

C24H20ClN7O3 — CID 139487936

IUPAC6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cnn(CC2CC2c2cc(C(=O)O)c3nccn3c2)c1
InChIInChI=1S/C24H20ClN7O3/c25-17-1-3-31-13-28-20(21(31)7-17)9-27-23(33)16-8-29-32(12-16)11-15-5-18(15)14-6-19(24(34)35)22-26-2-4-30(22)10-14/h1-4,6-8,10,12-13,15,18H,5,9,11H2,(H,27,33)(H,34,35)
InChIKeyZIQNVRFJCHFBBU-UHFFFAOYSA-N
MW489.92 g/mol
LogP3.26
Rot. Bonds7

About 6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid

6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 139487936) has the molecular formula C24H20ClN7O3 and a molecular weight of 489.92 g/mol. Its IUPAC name is 6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID139487936
Molecular FormulaC24H20ClN7O3
Molecular Weight489.92 g/mol
Exact Mass489.13
IUPAC Name6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cnn(CC2CC2c2cc(C(=O)O)c3nccn3c2)c1
InChIInChI=1S/C24H20ClN7O3/c25-17-1-3-31-13-28-20(21(31)7-17)9-27-23(33)16-8-29-32(12-16)11-15-5-18(15)14-6-19(24(34)35)22-26-2-4-30(22)10-14/h1-4,6-8,10,12-13,15,18H,5,9,11H2,(H,27,33)(H,34,35)
InChIKeyZIQNVRFJCHFBBU-UHFFFAOYSA-N
XLogP3.26
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.92
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid (CID 139487936) is 6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(NCc1ncn2ccc(Cl)cc12)c1cnn(CC2CC2c2cc(C(=O)O)c3nccn3c2)c1.
What is the InChIKey of 6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is ZIQNVRFJCHFBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7O3/c25-17-1-3-31-13-28-20(21(31)7-17)9-27-23(33)16-8-29-32(12-16)11-15-5-18(15)14-6-19(24(34)35)22-26-2-4-30(22)10-14/h1-4,6-8,10,12-13,15,18H,5,9,11H2,(H,27,33)(H,34,35).
What are the key properties of 6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 489.92 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 139487936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).