1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide

C19H22ClF2N5O — CID 118450561

IUPAC1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1(F)F
InChIInChI=1S/C19H22ClF2N5O/c20-13-9-24-27(11-13)16-5-7-23-10-17(16)26-8-6-15(19(21,22)12-26)18(28)25-14-3-1-2-4-14/h5,7,9-11,14-15H,1-4,6,8,12H2,(H,25,28)
InChIKeyYZHCNTPAYLKFOV-UHFFFAOYSA-N
MW409.87 g/mol
LogP3.44
Rot. Bonds4

About 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide

1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide (PubChem CID 118450561) has the molecular formula C19H22ClF2N5O and a molecular weight of 409.87 g/mol. Its IUPAC name is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide
PubChem CID118450561
Molecular FormulaC19H22ClF2N5O
Molecular Weight409.87 g/mol
Exact Mass409.15
IUPAC Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1(F)F
InChIInChI=1S/C19H22ClF2N5O/c20-13-9-24-27(11-13)16-5-7-23-10-17(16)26-8-6-15(19(21,22)12-26)18(28)25-14-3-1-2-4-14/h5,7,9-11,14-15H,1-4,6,8,12H2,(H,25,28)
InChIKeyYZHCNTPAYLKFOV-UHFFFAOYSA-N
XLogP3.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide (CID 118450561) is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1(F)F.
What is the InChIKey of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide?
The InChIKey is YZHCNTPAYLKFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF2N5O/c20-13-9-24-27(11-13)16-5-7-23-10-17(16)26-8-6-15(19(21,22)12-26)18(28)25-14-3-1-2-4-14/h5,7,9-11,14-15H,1-4,6,8,12H2,(H,25,28).
What are the key properties of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide?
1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide is sourced from PubChem (CID 118450561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).