N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

C19H17F2N7O2 — CID 154654345

IUPACN-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(N2CCC(F)(F)C2)nc1)c1cccnc1
InChIInChI=1S/C19H17F2N7O2/c20-19(21)5-7-28(11-19)15-4-3-13(9-23-15)25-18(30)16-14(10-24-27-16)26-17(29)12-2-1-6-22-8-12/h1-4,6,8-10H,5,7,11H2,(H,24,27)(H,25,30)(H,26,29)
InChIKeyYUNXFBCWEFXIFG-UHFFFAOYSA-N
MW413.39 g/mol
LogP2.55
Rot. Bonds5

About N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 154654345) has the molecular formula C19H17F2N7O2 and a molecular weight of 413.39 g/mol. Its IUPAC name is N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID154654345
Molecular FormulaC19H17F2N7O2
Molecular Weight413.39 g/mol
Exact Mass413.14
IUPAC NameN-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(N2CCC(F)(F)C2)nc1)c1cccnc1
InChIInChI=1S/C19H17F2N7O2/c20-19(21)5-7-28(11-19)15-4-3-13(9-23-15)25-18(30)16-14(10-24-27-16)26-17(29)12-2-1-6-22-8-12/h1-4,6,8-10H,5,7,11H2,(H,24,27)(H,25,30)(H,26,29)
InChIKeyYUNXFBCWEFXIFG-UHFFFAOYSA-N
XLogP2.55
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654515
N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154654414
N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154998711
N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154654222
6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 143994451
6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide
CID 172605516
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 59733537
N-[(4S,5R)-9-(5-fluoro-2-pyridinyl)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-3-carboxamide
CID 169415607
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450932
N-(5,6-difluoro-1H-indol-3-yl)-6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxamide
CID 162445062
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884

Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (CID 154654345) is N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is O=C(Nc1cn[nH]c1C(=O)Nc1ccc(N2CCC(F)(F)C2)nc1)c1cccnc1.
What is the InChIKey of N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is YUNXFBCWEFXIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O2/c20-19(21)5-7-28(11-19)15-4-3-13(9-23-15)25-18(30)16-14(10-24-27-16)26-17(29)12-2-1-6-22-8-12/h1-4,6,8-10H,5,7,11H2,(H,24,27)(H,25,30)(H,26,29).
What are the key properties of N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 413.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154654345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).