[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone

C18H20ClN5O2 — CID 130222611

IUPAC[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone
SMILESO=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)N1C[C@@H]2OCC21
InChIInChI=1S/C18H20ClN5O2/c19-13-7-21-24(9-13)14-1-4-20-8-15(14)22-5-2-12(3-6-22)18(25)23-10-17-16(23)11-26-17/h1,4,7-9,12,16-17H,2-3,5-6,10-11H2/t16?,17-/m0/s1
InChIKeyUNHVUMQVAJFVKT-DJNXLDHESA-N
MW373.84 g/mol
LogP1.75
Rot. Bonds3

About [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone

[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone (PubChem CID 130222611) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone.

Molecular Properties

Compound Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone
PubChem CID130222611
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone
SMILESO=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)N1C[C@@H]2OCC21
InChIInChI=1S/C18H20ClN5O2/c19-13-7-21-24(9-13)14-1-4-20-8-15(14)22-5-2-12(3-6-22)18(25)23-10-17-16(23)11-26-17/h1,4,7-9,12,16-17H,2-3,5-6,10-11H2/t16?,17-/m0/s1
InChIKeyUNHVUMQVAJFVKT-DJNXLDHESA-N
XLogP1.75
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-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

[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 118450454
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 118450442
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 118450749
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone
CID 118450519
1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
CID 118450532
1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide
CID 118450678
N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 129066111
4-(chloromethyl)-3-(4-chloropyrazol-1-yl)pyridine
CID 105067554
1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile
CID 130222617
N-[[4-(4-chloropyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81254178
3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 118450421
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 84589797

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone?
The IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone (CID 130222611) is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone.
What is the SMILES notation for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone?
The canonical SMILES for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone is O=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)N1C[C@@H]2OCC21.
What is the InChIKey of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone?
The InChIKey is UNHVUMQVAJFVKT-DJNXLDHESA-N. The full InChI is InChI=1S/C18H20ClN5O2/c19-13-7-21-24(9-13)14-1-4-20-8-15(14)22-5-2-12(3-6-22)18(25)23-10-17-16(23)11-26-17/h1,4,7-9,12,16-17H,2-3,5-6,10-11H2/t16?,17-/m0/s1.
What are the key properties of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone?
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone has a molecular weight of 373.84 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone is sourced from PubChem (CID 130222611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).