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

C24H26F2N8O3 — CID 154654213

IUPACN-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(N2CCC(F)(F)C2)nc1)c1cncc(OC2CCNCC2)c1
InChIInChI=1S/C24H26F2N8O3/c25-24(26)5-8-34(14-24)20-2-1-16(11-29-20)31-23(36)21-19(13-30-33-21)32-22(35)15-9-18(12-28-10-15)37-17-3-6-27-7-4-17/h1-2,9-13,17,27H,3-8,14H2,(H,30,33)(H,31,36)(H,32,35)
InChIKeyQHSLNROXYOMVCC-UHFFFAOYSA-N
MW512.52 g/mol
LogP2.68
Rot. Bonds7

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

N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide (PubChem CID 154654213) has the molecular formula C24H26F2N8O3 and a molecular weight of 512.52 g/mol. Its IUPAC name is N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide
PubChem CID154654213
Molecular FormulaC24H26F2N8O3
Molecular Weight512.52 g/mol
Exact Mass512.21
IUPAC NameN-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(N2CCC(F)(F)C2)nc1)c1cncc(OC2CCNCC2)c1
InChIInChI=1S/C24H26F2N8O3/c25-24(26)5-8-34(14-24)20-2-1-16(11-29-20)31-23(36)21-19(13-30-33-21)32-22(35)15-9-18(12-28-10-15)37-17-3-6-27-7-4-17/h1-2,9-13,17,27H,3-8,14H2,(H,30,33)(H,31,36)(H,32,35)
InChIKeyQHSLNROXYOMVCC-UHFFFAOYSA-N
XLogP2.68
TPSA137.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.52
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide?
The IUPAC name of N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide (CID 154654213) is N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide is O=C(Nc1cn[nH]c1C(=O)Nc1ccc(N2CCC(F)(F)C2)nc1)c1cncc(OC2CCNCC2)c1.
What is the InChIKey of N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide?
The InChIKey is QHSLNROXYOMVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O3/c25-24(26)5-8-34(14-24)20-2-1-16(11-29-20)31-23(36)21-19(13-30-33-21)32-22(35)15-9-18(12-28-10-15)37-17-3-6-27-7-4-17/h1-2,9-13,17,27H,3-8,14H2,(H,30,33)(H,31,36)(H,32,35).
What are the key properties of N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide?
N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide has a molecular weight of 512.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 4 hydrogen bond donors, and 8 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]-5-piperidin-4-yloxypyridine-3-carboxamide is sourced from PubChem (CID 154654213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).