2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide

C31H34F2N4O3 — CID 169264708

IUPAC2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCCC(CNC(=O)c1cc(OC)n2nc(C3CC3)cc2c1)c1cc(C(C)(C)O)c(F)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C31H34F2N4O3/c1-5-6-20(25-16-24(31(2,3)39)28(33)29(35-25)19-9-11-22(32)12-10-19)17-34-30(38)21-13-23-15-26(18-7-8-18)36-37(23)27(14-21)40-4/h9-16,18,20,39H,5-8,17H2,1-4H3,(H,34,38)
InChIKeyJRWQSIYWVOZFNZ-UHFFFAOYSA-N
MW548.63 g/mol
LogP6.10
Rot. Bonds10

About 2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide

2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 169264708) has the molecular formula C31H34F2N4O3 and a molecular weight of 548.63 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID169264708
Molecular FormulaC31H34F2N4O3
Molecular Weight548.63 g/mol
Exact Mass548.26
IUPAC Name2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCCC(CNC(=O)c1cc(OC)n2nc(C3CC3)cc2c1)c1cc(C(C)(C)O)c(F)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C31H34F2N4O3/c1-5-6-20(25-16-24(31(2,3)39)28(33)29(35-25)19-9-11-22(32)12-10-19)17-34-30(38)21-13-23-15-26(18-7-8-18)36-37(23)27(14-21)40-4/h9-16,18,20,39H,5-8,17H2,1-4H3,(H,34,38)
InChIKeyJRWQSIYWVOZFNZ-UHFFFAOYSA-N
XLogP6.10
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.63
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide (CID 169264708) is 2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide is CCCC(CNC(=O)c1cc(OC)n2nc(C3CC3)cc2c1)c1cc(C(C)(C)O)c(F)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is JRWQSIYWVOZFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N4O3/c1-5-6-20(25-16-24(31(2,3)39)28(33)29(35-25)19-9-11-22(32)12-10-19)17-34-30(38)21-13-23-15-26(18-7-8-18)36-37(23)27(14-21)40-4/h9-16,18,20,39H,5-8,17H2,1-4H3,(H,34,38).
What are the key properties of 2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 548.63 g/mol, XLogP of 6.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 169264708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).