cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone

C24H24FN5O — CID 92568866

IUPACcyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1
InChIInChI=1S/C24H24FN5O/c25-19-6-1-7-20(12-19)27-22-13-21(28-23(29-22)17-4-2-10-26-14-17)18-5-3-11-30(15-18)24(31)16-8-9-16/h1-2,4,6-7,10,12-14,16,18H,3,5,8-9,11,15H2,(H,27,28,29)/t18-/m0/s1
InChIKeyAZFOHRQXCMCZJW-SFHVURJKSA-N
MW417.49 g/mol
LogP4.54
Rot. Bonds5

About cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone

cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 92568866) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID92568866
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Namecyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1
InChIInChI=1S/C24H24FN5O/c25-19-6-1-7-20(12-19)27-22-13-21(28-23(29-22)17-4-2-10-26-14-17)18-5-3-11-30(15-18)24(31)16-8-9-16/h1-2,4,6-7,10,12-14,16,18H,3,5,8-9,11,15H2,(H,27,28,29)/t18-/m0/s1
InChIKeyAZFOHRQXCMCZJW-SFHVURJKSA-N
XLogP4.54
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 92548954
[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
CID 110240107
1-[(3R)-3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 92610994
2,2-dimethyl-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 92551701
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 92575229
[4-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110240052
[3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110240239
[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110239982
1-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone
CID 167370314
2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110240019
cyclopropyl-[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92568798
[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110239936

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone (CID 92568866) is cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC[C@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1.
What is the InChIKey of cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is AZFOHRQXCMCZJW-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24FN5O/c25-19-6-1-7-20(12-19)27-22-13-21(28-23(29-22)17-4-2-10-26-14-17)18-5-3-11-30(15-18)24(31)16-8-9-16/h1-2,4,6-7,10,12-14,16,18H,3,5,8-9,11,15H2,(H,27,28,29)/t18-/m0/s1.
What are the key properties of cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 417.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92568866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).