2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone

C24H26FN5O2 — CID 92610375

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCNc1cc([C@@H]2CCCN(C(=O)Cc3ccc(OC)c(F)c3)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C24H26FN5O2/c1-26-22-13-20(28-24(29-22)17-5-3-9-27-14-17)18-6-4-10-30(15-18)23(31)12-16-7-8-21(32-2)19(25)11-16/h3,5,7-9,11,13-14,18H,4,6,10,12,15H2,1-2H3,(H,26,28,29)/t18-/m1/s1
InChIKeyRLAXGAUZNIZBFM-GOSISDBHSA-N
MW435.50 g/mol
LogP3.68
Rot. Bonds6

About 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone

2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 92610375) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID92610375
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCNc1cc([C@@H]2CCCN(C(=O)Cc3ccc(OC)c(F)c3)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C24H26FN5O2/c1-26-22-13-20(28-24(29-22)17-5-3-9-27-14-17)18-6-4-10-30(15-18)23(31)12-16-7-8-21(32-2)19(25)11-16/h3,5,7-9,11,13-14,18H,4,6,10,12,15H2,1-2H3,(H,26,28,29)/t18-/m1/s1
InChIKeyRLAXGAUZNIZBFM-GOSISDBHSA-N
XLogP3.68
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pf-07258669
CID 164889476
4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-benzamide
CID 9890357
Pyridinyl pyrimidine 40
CID 11655925
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
(2S)-2-[6-(difluoromethoxy)-3-pyridinyl]-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166585467
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 74
CID 44520963
Pyrimidine-4-carboxamide, 78
CID 44520965
2-(2-(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-yloxy)phenyl)acetamide
CID 53239985
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone (CID 92610375) is 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone is CNc1cc([C@@H]2CCCN(C(=O)Cc3ccc(OC)c(F)c3)C2)nc(-c2cccnc2)n1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is RLAXGAUZNIZBFM-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-26-22-13-20(28-24(29-22)17-5-3-9-27-14-17)18-6-4-10-30(15-18)23(31)12-16-7-8-21(32-2)19(25)11-16/h3,5,7-9,11,13-14,18H,4,6,10,12,15H2,1-2H3,(H,26,28,29)/t18-/m1/s1.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 435.50 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92610375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).