[(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone

C17H19ClN4O2 — CID 167064625

IUPAC[(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1cc(-c2cc(C(=O)N3[C@@H]4CCC[C@@H]3CC4)[nH]n2)c(Cl)cn1
InChIInChI=1S/C17H19ClN4O2/c1-24-16-7-12(13(18)9-19-16)14-8-15(21-20-14)17(23)22-10-3-2-4-11(22)6-5-10/h7-11H,2-6H2,1H3,(H,20,21)/t10-,11-/m1/s1
InChIKeyYGIWDHIRASAWSB-GHMZBOCLSA-N
MW346.82 g/mol
LogP3.29
Rot. Bonds3

About [(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone

[(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone (PubChem CID 167064625) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is [(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone
PubChem CID167064625
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name[(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1cc(-c2cc(C(=O)N3[C@@H]4CCC[C@@H]3CC4)[nH]n2)c(Cl)cn1
InChIInChI=1S/C17H19ClN4O2/c1-24-16-7-12(13(18)9-19-16)14-8-15(21-20-14)17(23)22-10-3-2-4-11(22)6-5-10/h7-11H,2-6H2,1H3,(H,20,21)/t10-,11-/m1/s1
InChIKeyYGIWDHIRASAWSB-GHMZBOCLSA-N
XLogP3.29
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone 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

(1S,5R)-8-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 163294749
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylic acid
CID 163295546
methyl 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpiperidine-4-carboxylate
CID 163295731
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide
CID 169094997
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(4,4-difluoro-5-oxopyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 163295601
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 163295488
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide
CID 163295884
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
CID 163294837
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide
CID 175578148
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxamide
CID 163295674
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide
CID 163294872
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperidine-4-carboxamide
CID 163295865

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone (CID 167064625) is [(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone is COc1cc(-c2cc(C(=O)N3[C@@H]4CCC[C@@H]3CC4)[nH]n2)c(Cl)cn1.
What is the InChIKey of [(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is YGIWDHIRASAWSB-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-24-16-7-12(13(18)9-19-16)14-8-15(21-20-14)17(23)22-10-3-2-4-11(22)6-5-10/h7-11H,2-6H2,1H3,(H,20,21)/t10-,11-/m1/s1.
What are the key properties of [(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone?
[(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 346.82 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 167064625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).