1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol

C14H16ClF2N5O — CID 167426153

IUPAC1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol
SMILESOC1CCN(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C14H16ClF2N5O/c15-13-7-12(19-21-4-1-9(23)2-5-21)10(8-18-13)11-3-6-22(20-11)14(16)17/h3,6-9,14,23H,1-2,4-5H2,(H,18,19)
InChIKeyQMVFSFFMNBBGCW-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.78
Rot. Bonds4

About 1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol

1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol (PubChem CID 167426153) has the molecular formula C14H16ClF2N5O and a molecular weight of 343.77 g/mol. Its IUPAC name is 1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol
PubChem CID167426153
Molecular FormulaC14H16ClF2N5O
Molecular Weight343.77 g/mol
Exact Mass343.10
IUPAC Name1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol
SMILESOC1CCN(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C14H16ClF2N5O/c15-13-7-12(19-21-4-1-9(23)2-5-21)10(8-18-13)11-3-6-22(20-11)14(16)17/h3,6-9,14,23H,1-2,4-5H2,(H,18,19)
InChIKeyQMVFSFFMNBBGCW-UHFFFAOYSA-N
XLogP2.78
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-(3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanol
CID 46884597
1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 86796011
2-chloro-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 15411124
4-[4-(6-Chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1,1,1-trifluorobutan-2-ol
CID 90288586
2-Chloro-6-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 155385401
(3-Chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 164141682
4-[[2-Chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425605
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 167425613
4-[[2-Chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425630
[4-[[2-Chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol
CID 167425635
2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine
CID 167425655
2-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexan-1-ol
CID 167425656

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol?
The IUPAC name of 1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol (CID 167426153) is 1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol.
What is the SMILES notation for 1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol?
The canonical SMILES for 1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol is OC1CCN(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1.
What is the InChIKey of 1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol?
The InChIKey is QMVFSFFMNBBGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2N5O/c15-13-7-12(19-21-4-1-9(23)2-5-21)10(8-18-13)11-3-6-22(20-11)14(16)17/h3,6-9,14,23H,1-2,4-5H2,(H,18,19).
What are the key properties of 1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol?
1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol has a molecular weight of 343.77 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-4-ol is sourced from PubChem (CID 167426153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).