6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

C24H20F5N7O — CID 165129708

IUPAC6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESN#CC1(Cn2cc(-c3cccc(C(=O)Nc4cc(N5CCC(F)(F)C5)cnc4C(F)(F)F)n3)cn2)CC1
InChIInChI=1S/C24H20F5N7O/c25-23(26)6-7-35(14-23)16-8-19(20(31-10-16)24(27,28)29)34-21(37)18-3-1-2-17(33-18)15-9-32-36(11-15)13-22(12-30)4-5-22/h1-3,8-11H,4-7,13-14H2,(H,34,37)
InChIKeyPHQCRXJTVNXROQ-UHFFFAOYSA-N
MW517.46 g/mol
LogP4.76
Rot. Bonds6

About 6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 165129708) has the molecular formula C24H20F5N7O and a molecular weight of 517.46 g/mol. Its IUPAC name is 6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID165129708
Molecular FormulaC24H20F5N7O
Molecular Weight517.46 g/mol
Exact Mass517.16
IUPAC Name6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESN#CC1(Cn2cc(-c3cccc(C(=O)Nc4cc(N5CCC(F)(F)C5)cnc4C(F)(F)F)n3)cn2)CC1
InChIInChI=1S/C24H20F5N7O/c25-23(26)6-7-35(14-23)16-8-19(20(31-10-16)24(27,28)29)34-21(37)18-3-1-2-17(33-18)15-9-32-36(11-15)13-22(12-30)4-5-22/h1-3,8-11H,4-7,13-14H2,(H,34,37)
InChIKeyPHQCRXJTVNXROQ-UHFFFAOYSA-N
XLogP4.76
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (CID 165129708) is 6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is N#CC1(Cn2cc(-c3cccc(C(=O)Nc4cc(N5CCC(F)(F)C5)cnc4C(F)(F)F)n3)cn2)CC1.
What is the InChIKey of 6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is PHQCRXJTVNXROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F5N7O/c25-23(26)6-7-35(14-23)16-8-19(20(31-10-16)24(27,28)29)34-21(37)18-3-1-2-17(33-18)15-9-32-36(11-15)13-22(12-30)4-5-22/h1-3,8-11H,4-7,13-14H2,(H,34,37).
What are the key properties of 6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 517.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(1-cyanocyclopropyl)methyl]pyrazol-4-yl]-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 165129708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).