[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C18H22ClN5O3S — CID 118450442

IUPAC[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C18H22ClN5O3S/c19-15-11-21-24(13-15)16-1-4-20-12-17(16)22-5-2-14(3-6-22)18(25)23-7-9-28(26,27)10-8-23/h1,4,11-14H,2-3,5-10H2
InChIKeyDPANNHYPCDIXJM-UHFFFAOYSA-N
MW423.93 g/mol
LogP1.39
Rot. Bonds3

About [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 118450442) has the molecular formula C18H22ClN5O3S and a molecular weight of 423.93 g/mol. Its IUPAC name is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID118450442
Molecular FormulaC18H22ClN5O3S
Molecular Weight423.93 g/mol
Exact Mass423.11
IUPAC Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C18H22ClN5O3S/c19-15-11-21-24(13-15)16-1-4-20-12-17(16)22-5-2-14(3-6-22)18(25)23-7-9-28(26,27)10-8-23/h1,4,11-14H,2-3,5-10H2
InChIKeyDPANNHYPCDIXJM-UHFFFAOYSA-N
XLogP1.39
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.93
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[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
[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]-[(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-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 90205765
1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide
CID 118450678
[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 154565639
[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 136568171
1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
CID 118450532
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462424
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone
CID 43462423
N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 129066111

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 118450442) is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is O=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is DPANNHYPCDIXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3S/c19-15-11-21-24(13-15)16-1-4-20-12-17(16)22-5-2-14(3-6-22)18(25)23-7-9-28(26,27)10-8-23/h1,4,11-14H,2-3,5-10H2.
What are the key properties of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 423.93 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 118450442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).