1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C20H21N5O3 — CID 56705435

IUPAC1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCc1cccn2cc(C(=O)N3CCc4c(c(C(=O)O)nn4CC4CC4)C3)nc12
InChIInChI=1S/C20H21N5O3/c1-12-3-2-7-23-11-15(21-18(12)23)19(26)24-8-6-16-14(10-24)17(20(27)28)22-25(16)9-13-4-5-13/h2-3,7,11,13H,4-6,8-10H2,1H3,(H,27,28)
InChIKeyXTBIXQLRKWEOHF-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.15
Rot. Bonds4

About 1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56705435) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56705435
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCc1cccn2cc(C(=O)N3CCc4c(c(C(=O)O)nn4CC4CC4)C3)nc12
InChIInChI=1S/C20H21N5O3/c1-12-3-2-7-23-11-15(21-18(12)23)19(26)24-8-6-16-14(10-24)17(20(27)28)22-25(16)9-13-4-5-13/h2-3,7,11,13H,4-6,8-10H2,1H3,(H,27,28)
InChIKeyXTBIXQLRKWEOHF-UHFFFAOYSA-N
XLogP2.15
TPSA92.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl]pyrazole-3-carboxylic acid
CID 25024122
7-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
CID 57378954
5-(2-(cyclopropyl(methyl)amino)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67774177
1-[[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]pyrazole-3-carboxylic acid
CID 139487833
7-(1,5-dimethyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4774543
1-Methyl-5-(2-morpholino-[1,2,4]triazolo[1,5-a]pyridin-6-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
CID 89464309
7-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776266
1-[(6-Chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 57399015
1-Methyl-2-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]benzimidazole-4-carboxylic acid
CID 164866578
1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
CID 71537576
1-[(7-Chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 57402583

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56705435) is 1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is Cc1cccn2cc(C(=O)N3CCc4c(c(C(=O)O)nn4CC4CC4)C3)nc12.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is XTBIXQLRKWEOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12-3-2-7-23-11-15(21-18(12)23)19(26)24-8-6-16-14(10-24)17(20(27)28)22-25(16)9-13-4-5-13/h2-3,7,11,13H,4-6,8-10H2,1H3,(H,27,28).
What are the key properties of 1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56705435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).