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

C18H21ClF2N4O — CID 167425594

IUPAC4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol
SMILESOC1(C2CC2)CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C18H21ClF2N4O/c19-16-9-15(13(10-22-16)14-5-8-25(24-14)17(20)21)23-12-3-6-18(26,7-4-12)11-1-2-11/h5,8-12,17,26H,1-4,6-7H2,(H,22,23)
InChIKeyPZHMBJIPPVQNTO-UHFFFAOYSA-N
MW382.84 g/mol
LogP4.49
Rot. Bonds5

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

4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol (PubChem CID 167425594) has the molecular formula C18H21ClF2N4O and a molecular weight of 382.84 g/mol. Its IUPAC name is 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol
PubChem CID167425594
Molecular FormulaC18H21ClF2N4O
Molecular Weight382.84 g/mol
Exact Mass382.14
IUPAC Name4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol
SMILESOC1(C2CC2)CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C18H21ClF2N4O/c19-16-9-15(13(10-22-16)14-5-8-25(24-14)17(20)21)23-12-3-6-18(26,7-4-12)11-1-2-11/h5,8-12,17,26H,1-4,6-7H2,(H,22,23)
InChIKeyPZHMBJIPPVQNTO-UHFFFAOYSA-N
XLogP4.49
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol?
The IUPAC name of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol (CID 167425594) is 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol.
What is the SMILES notation for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol?
The canonical SMILES for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol is OC1(C2CC2)CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1.
What is the InChIKey of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol?
The InChIKey is PZHMBJIPPVQNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF2N4O/c19-16-9-15(13(10-22-16)14-5-8-25(24-14)17(20)21)23-12-3-6-18(26,7-4-12)11-1-2-11/h5,8-12,17,26H,1-4,6-7H2,(H,22,23).
What are the key properties of 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol?
4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol has a molecular weight of 382.84 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol is sourced from PubChem (CID 167425594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).