3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid

C19H22ClN5O3 — CID 175103747

IUPAC3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1cc(-c2cnn3c2CCCC3)c(Cl)cn1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C19H22ClN5O3/c20-15-10-21-17(23-18(26)12-4-3-6-24(11-12)19(27)28)8-13(15)14-9-22-25-7-2-1-5-16(14)25/h8-10,12H,1-7,11H2,(H,27,28)(H,21,23,26)
InChIKeyGTDADMXBZQAEPJ-UHFFFAOYSA-N
MW403.87 g/mol
LogP3.26
Rot. Bonds3

About 3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid

3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (PubChem CID 175103747) has the molecular formula C19H22ClN5O3 and a molecular weight of 403.87 g/mol. Its IUPAC name is 3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
PubChem CID175103747
Molecular FormulaC19H22ClN5O3
Molecular Weight403.87 g/mol
Exact Mass403.14
IUPAC Name3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1cc(-c2cnn3c2CCCC3)c(Cl)cn1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C19H22ClN5O3/c20-15-10-21-17(23-18(26)12-4-3-6-24(11-12)19(27)28)8-13(15)14-9-22-25-7-2-1-5-16(14)25/h8-10,12H,1-7,11H2,(H,27,28)(H,21,23,26)
InChIKeyGTDADMXBZQAEPJ-UHFFFAOYSA-N
XLogP3.26
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

(1S)-3-acetamido-N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 175470626
[(1R,3S)-3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] carbamate
CID 175101995
cis-(1S,3R)-N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-3-[[(2S)-2-hydroxypropyl]amino]cyclohexane-1-carboxamide
CID 175105950
N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide
CID 139506256
3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 175470632
methyl 3-[[5-chloro-4-[2-chloro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 77401600
tert-butyl 3-[[5-chloro-4-(2-ethyl-3-fluorophenyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 123166458
5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide
CID 153334302
methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67980053
cis-(1S,3R)-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-3-(1-methylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 156779883
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 67033659
(1R)-3-acetamido-N-[5-chloro-4-(6-hydroxy-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 175470617

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (CID 175103747) is 3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is O=C(Nc1cc(-c2cnn3c2CCCC3)c(Cl)cn1)C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The InChIKey is GTDADMXBZQAEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O3/c20-15-10-21-17(23-18(26)12-4-3-6-24(11-12)19(27)28)8-13(15)14-9-22-25-7-2-1-5-16(14)25/h8-10,12H,1-7,11H2,(H,27,28)(H,21,23,26).
What are the key properties of 3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid has a molecular weight of 403.87 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175103747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).