1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one

C22H24FN5O — CID 95837288

IUPAC1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
SMILESCc1nc(N)c2ccc([C@H]3CCCCN3C(=O)CCc3ccc(F)cc3)nc2n1
InChIInChI=1S/C22H24FN5O/c1-14-25-21(24)17-10-11-18(27-22(17)26-14)19-4-2-3-13-28(19)20(29)12-7-15-5-8-16(23)9-6-15/h5-6,8-11,19H,2-4,7,12-13H2,1H3,(H2,24,25,26,27)/t19-/m1/s1
InChIKeyFMZIVOJRDSGTCR-LJQANCHMSA-N
MW393.47 g/mol
LogP3.74
Rot. Bonds4

About 1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one

1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one (PubChem CID 95837288) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
PubChem CID95837288
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
SMILESCc1nc(N)c2ccc([C@H]3CCCCN3C(=O)CCc3ccc(F)cc3)nc2n1
InChIInChI=1S/C22H24FN5O/c1-14-25-21(24)17-10-11-18(27-22(17)26-14)19-4-2-3-13-28(19)20(29)12-7-15-5-8-16(23)9-6-15/h5-6,8-11,19H,2-4,7,12-13H2,1H3,(H2,24,25,26,27)/t19-/m1/s1
InChIKeyFMZIVOJRDSGTCR-LJQANCHMSA-N
XLogP3.74
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95837261
7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110267067
3-(4-fluorophenyl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125022280
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
2-[2-(4-fluorophenyl)ethyl]-6-[(2R)-1-pentanoylpyrrolidin-2-yl]pyridine-3-carboxylic acid
CID 124961750
1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110254562
3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104424
2-[(2S)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636783
2-[(2R)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636784
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247808
3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 110247872
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid
CID 61010514

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one?
The IUPAC name of 1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one (CID 95837288) is 1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one is Cc1nc(N)c2ccc([C@H]3CCCCN3C(=O)CCc3ccc(F)cc3)nc2n1.
What is the InChIKey of 1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one?
The InChIKey is FMZIVOJRDSGTCR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-14-25-21(24)17-10-11-18(27-22(17)26-14)19-4-2-3-13-28(19)20(29)12-7-15-5-8-16(23)9-6-15/h5-6,8-11,19H,2-4,7,12-13H2,1H3,(H2,24,25,26,27)/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one?
1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one has a molecular weight of 393.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 95837288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).