N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

C25H27F3N6O — CID 134325452

IUPACN-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3(F)F)c2)c1
InChIInChI=1S/C25H27F3N6O/c1-15-7-22(26)21(24(35)32-17-3-4-17)9-20(15)16-10-30-34(13-16)19-8-18(11-29-12-19)31-23-5-6-33(2)14-25(23,27)28/h7-13,17,23,31H,3-6,14H2,1-2H3,(H,32,35)
InChIKeyUNLSTYDFJIXJDP-UHFFFAOYSA-N
MW484.53 g/mol
LogP4.03
Rot. Bonds6

About N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 134325452) has the molecular formula C25H27F3N6O and a molecular weight of 484.53 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID134325452
Molecular FormulaC25H27F3N6O
Molecular Weight484.53 g/mol
Exact Mass484.22
IUPAC NameN-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3(F)F)c2)c1
InChIInChI=1S/C25H27F3N6O/c1-15-7-22(26)21(24(35)32-17-3-4-17)9-20(15)16-10-30-34(13-16)19-8-18(11-29-12-19)31-23-5-6-33(2)14-25(23,27)28/h7-13,17,23,31H,3-6,14H2,1-2H3,(H,32,35)
InChIKeyUNLSTYDFJIXJDP-UHFFFAOYSA-N
XLogP4.03
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 134325452) is N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3(F)F)c2)c1.
What is the InChIKey of N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is UNLSTYDFJIXJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O/c1-15-7-22(26)21(24(35)32-17-3-4-17)9-20(15)16-10-30-34(13-16)19-8-18(11-29-12-19)31-23-5-6-33(2)14-25(23,27)28/h7-13,17,23,31H,3-6,14H2,1-2H3,(H,32,35).
What are the key properties of N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 484.53 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-[5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 134325452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).