4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

C22H21ClN6O — CID 86269070

IUPAC4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2c(-n3cccn3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C22H21ClN6O/c23-16-2-4-17(5-3-16)29-19-14-25-10-6-18(19)20(21(29)28-11-1-9-26-28)15-7-12-27(13-8-15)22(24)30/h1-6,9-11,14-15H,7-8,12-13H2,(H2,24,30)
InChIKeyIWXGNZDKSOBNRG-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.12
Rot. Bonds3

About 4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 86269070) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID86269070
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC Name4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2c(-n3cccn3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C22H21ClN6O/c23-16-2-4-17(5-3-16)29-19-14-25-10-6-18(19)20(21(29)28-11-1-9-26-28)15-7-12-27(13-8-15)22(24)30/h1-6,9-11,14-15H,7-8,12-13H2,(H2,24,30)
InChIKeyIWXGNZDKSOBNRG-UHFFFAOYSA-N
XLogP4.12
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo(4,5-b)pyridine
CID 71454279
US9815842, Example 21
CID 118540138
Pyrazine-Pyridine Biheteroaryl 57
CID 5330391
ML300-based SC inhibitor 40
CID 156027236
US9815842, Example 52
CID 118540239
7-[(3-Chlorophenyl)methyl]-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129116708
2-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 122177113
N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(3-chlorophenyl)urea
CID 11710909
7-Amino-4-[(3-chlorophenyl)methyl]-10-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
CID 44217690
4-chloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766322
4-(Azetidin-1-yl)-5-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 60163253
1,1-Dimethylethyl 6-[[2-chloro-4-(3-pyridinyl)phenyl]amino]-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
CID 66546905

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (CID 86269070) is 4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is NC(=O)N1CCC(c2c(-n3cccn3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is IWXGNZDKSOBNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c23-16-2-4-17(5-3-16)29-19-14-25-10-6-18(19)20(21(29)28-11-1-9-26-28)15-7-12-27(13-8-15)22(24)30/h1-6,9-11,14-15H,7-8,12-13H2,(H2,24,30).
What are the key properties of 4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-2-pyrazol-1-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 86269070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).