1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone

C27H34FN5O — CID 58138676

IUPAC1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone
SMILESCC(C)n1cc(CCN2CCC(N(C)c3cccc(CC(=O)c4ccc(F)cc4)n3)CC2)cn1
InChIInChI=1S/C27H34FN5O/c1-20(2)33-19-21(18-29-33)11-14-32-15-12-25(13-16-32)31(3)27-6-4-5-24(30-27)17-26(34)22-7-9-23(28)10-8-22/h4-10,18-20,25H,11-17H2,1-3H3
InChIKeyUCXFKDPIZBNYPF-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.57
Rot. Bonds9

About 1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone

1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone (PubChem CID 58138676) has the molecular formula C27H34FN5O and a molecular weight of 463.60 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone
PubChem CID58138676
Molecular FormulaC27H34FN5O
Molecular Weight463.60 g/mol
Exact Mass463.27
IUPAC Name1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone
SMILESCC(C)n1cc(CCN2CCC(N(C)c3cccc(CC(=O)c4ccc(F)cc4)n3)CC2)cn1
InChIInChI=1S/C27H34FN5O/c1-20(2)33-19-21(18-29-33)11-14-32-15-12-25(13-16-32)31(3)27-6-4-5-24(30-27)17-26(34)22-7-9-23(28)10-8-22/h4-10,18-20,25H,11-17H2,1-3H3
InChIKeyUCXFKDPIZBNYPF-UHFFFAOYSA-N
XLogP4.57
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-difluorophenyl)-4-{[3-(pyridin-4-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 9864447
5-Amino-1-(4-fluorophenyl)-4-[3-(pyridin-3-yl)benzoyl]pyrazole
CID 9950664
1-(4-fluorophenyl)-4-{[4-(pyridin-3-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 11602903
1-(2,4-difluorophenyl)-4-{[3-(pyridin-3-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 11689340
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720197
3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 10112596
Phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10499712
(3-Methylphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10644061
N-(6-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)benzamide
CID 17748379
N-{1-[Amino(oxo)acetyl]pentyl}-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157358
N-{1-[Amino(oxo)acetyl]pentyl}-2-(4-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157359

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone (CID 58138676) is 1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone is CC(C)n1cc(CCN2CCC(N(C)c3cccc(CC(=O)c4ccc(F)cc4)n3)CC2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone?
The InChIKey is UCXFKDPIZBNYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O/c1-20(2)33-19-21(18-29-33)11-14-32-15-12-25(13-16-32)31(3)27-6-4-5-24(30-27)17-26(34)22-7-9-23(28)10-8-22/h4-10,18-20,25H,11-17H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone?
1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone has a molecular weight of 463.60 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]ethanone is sourced from PubChem (CID 58138676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).