[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone

C18H20ClF2N5O2 — CID 118450519

IUPAC[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1(F)F)N1CCOCC1
InChIInChI=1S/C18H20ClF2N5O2/c19-13-9-23-26(11-13)15-1-3-22-10-16(15)25-4-2-14(18(20,21)12-25)17(27)24-5-7-28-8-6-24/h1,3,9-11,14H,2,4-8,12H2
InChIKeyGJHZCMPYUSKYKE-UHFFFAOYSA-N
MW411.84 g/mol
LogP2.24
Rot. Bonds3

About [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone

[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 118450519) has the molecular formula C18H20ClF2N5O2 and a molecular weight of 411.84 g/mol. Its IUPAC name is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID118450519
Molecular FormulaC18H20ClF2N5O2
Molecular Weight411.84 g/mol
Exact Mass411.13
IUPAC Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1(F)F)N1CCOCC1
InChIInChI=1S/C18H20ClF2N5O2/c19-13-9-23-26(11-13)15-1-3-22-10-16(15)25-4-2-14(18(20,21)12-25)17(27)24-5-7-28-8-6-24/h1,3,9-11,14H,2,4-8,12H2
InChIKeyGJHZCMPYUSKYKE-UHFFFAOYSA-N
XLogP2.24
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.84
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
CID 118450532
3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 118450421
[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]-[(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
4-(3,3-difluoroazetidine-1-carbonyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-2-one
CID 118450542
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-[(1R)-2,2-dichlorocyclopropyl]methanone
CID 97242539
N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 129066111
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 84589797
morpholin-4-yl-[2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 131697489
morpholin-4-yl-(1-pyridin-4-ylazetidin-3-yl)methanone
CID 163357808

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone (CID 118450519) is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1(F)F)N1CCOCC1.
What is the InChIKey of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is GJHZCMPYUSKYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF2N5O2/c19-13-9-23-26(11-13)15-1-3-22-10-16(15)25-4-2-14(18(20,21)12-25)17(27)24-5-7-28-8-6-24/h1,3,9-11,14H,2,4-8,12H2.
What are the key properties of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone?
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 411.84 g/mol, XLogP of 2.24, 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]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118450519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).