N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide

C21H26FN5O2 — CID 154700204

IUPACN-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide
SMILESCC(=O)Nc1c(NC(=O)C2CCCCC2)ncc(F)c1-c1cnn2c1CCCC2
InChIInChI=1S/C21H26FN5O2/c1-13(28)25-19-18(15-11-24-27-10-6-5-9-17(15)27)16(22)12-23-20(19)26-21(29)14-7-3-2-4-8-14/h11-12,14H,2-10H2,1H3,(H,25,28)(H,23,26,29)
InChIKeyPKRPDDBHEOQEJJ-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.90
Rot. Bonds4

About N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide

N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide (PubChem CID 154700204) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide
PubChem CID154700204
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC NameN-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide
SMILESCC(=O)Nc1c(NC(=O)C2CCCCC2)ncc(F)c1-c1cnn2c1CCCC2
InChIInChI=1S/C21H26FN5O2/c1-13(28)25-19-18(15-11-24-27-10-6-5-9-17(15)27)16(22)12-23-20(19)26-21(29)14-7-3-2-4-8-14/h11-12,14H,2-10H2,1H3,(H,25,28)(H,23,26,29)
InChIKeyPKRPDDBHEOQEJJ-UHFFFAOYSA-N
XLogP3.90
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide 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

3-acetamido-N-[5-methyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 175470632
(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
3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
CID 175103747
[(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
cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 138056033
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid
CID 66764821
ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
CID 145221540
5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine;N-cyclohexyl-2-methoxyacetamide
CID 153334302
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 129017972
N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 141275060
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 99704160

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide (CID 154700204) is N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide is CC(=O)Nc1c(NC(=O)C2CCCCC2)ncc(F)c1-c1cnn2c1CCCC2.
What is the InChIKey of N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide?
The InChIKey is PKRPDDBHEOQEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-13(28)25-19-18(15-11-24-27-10-6-5-9-17(15)27)16(22)12-23-20(19)26-21(29)14-7-3-2-4-8-14/h11-12,14H,2-10H2,1H3,(H,25,28)(H,23,26,29).
What are the key properties of N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide?
N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-5-fluoro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 154700204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).