(2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide

C33H31FN4O3 — CID 171684618

IUPAC(2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide
SMILESCO[C@](C)(C(=O)Nc1ccc(C2CCN(C(=O)c3cnn4cccc(F)c34)CC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C33H31FN4O3/c1-33(41-2,28-10-5-8-24-7-3-4-9-26(24)28)32(40)36-25-14-12-22(13-15-25)23-16-19-37(20-17-23)31(39)27-21-35-38-18-6-11-29(34)30(27)38/h3-15,18,21,23H,16-17,19-20H2,1-2H3,(H,36,40)/t33-/m0/s1
InChIKeyHVQYVVSDIJTZFV-XIFFEERXSA-N
MW550.63 g/mol
LogP6.15
Rot. Bonds6

About (2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide

(2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide (PubChem CID 171684618) has the molecular formula C33H31FN4O3 and a molecular weight of 550.63 g/mol. Its IUPAC name is (2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide
PubChem CID171684618
Molecular FormulaC33H31FN4O3
Molecular Weight550.63 g/mol
Exact Mass550.24
IUPAC Name(2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide
SMILESCO[C@](C)(C(=O)Nc1ccc(C2CCN(C(=O)c3cnn4cccc(F)c34)CC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C33H31FN4O3/c1-33(41-2,28-10-5-8-24-7-3-4-9-26(24)28)32(40)36-25-14-12-22(13-15-25)23-16-19-37(20-17-23)31(39)27-21-35-38-18-6-11-29(34)30(27)38/h3-15,18,21,23H,16-17,19-20H2,1-2H3,(H,36,40)/t33-/m0/s1
InChIKeyHVQYVVSDIJTZFV-XIFFEERXSA-N
XLogP6.15
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.63
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(3,5-dimethoxy-4-methylbenzoyl)piperidin-4-yl]phenyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 171684341
N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide
CID 171683788
butane;isoquinolin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724732
1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-[1-(isoquinoline-4-carbonyl)piperidin-4-yl]phenyl]urea
CID 72699869
N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]-3-fluoro-2-nitrobenzamide
CID 171684890
ethyl 2-fluoro-3-[4-[4-[[2-(4-fluoroindol-1-yl)acetyl]amino]phenyl]piperidine-1-carbonyl]benzoate
CID 171681792
2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171698533
methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate
CID 171685110
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
CID 2810787
2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide
CID 172889479
(2-fluorophenyl)-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848974
N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 171685415

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide?
The IUPAC name of (2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide (CID 171684618) is (2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide?
The canonical SMILES for (2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide is CO[C@](C)(C(=O)Nc1ccc(C2CCN(C(=O)c3cnn4cccc(F)c34)CC2)cc1)c1cccc2ccccc12.
What is the InChIKey of (2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide?
The InChIKey is HVQYVVSDIJTZFV-XIFFEERXSA-N. The full InChI is InChI=1S/C33H31FN4O3/c1-33(41-2,28-10-5-8-24-7-3-4-9-26(24)28)32(40)36-25-14-12-22(13-15-25)23-16-19-37(20-17-23)31(39)27-21-35-38-18-6-11-29(34)30(27)38/h3-15,18,21,23H,16-17,19-20H2,1-2H3,(H,36,40)/t33-/m0/s1.
What are the key properties of (2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide?
(2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide has a molecular weight of 550.63 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide is sourced from PubChem (CID 171684618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).