[(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone

C20H20FN5O — CID 95837261

IUPAC[(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCc1nc(N)c2ccc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)nc2n1
InChIInChI=1S/C20H20FN5O/c1-12-23-18(22)15-9-10-16(25-19(15)24-12)17-4-2-3-11-26(17)20(27)13-5-7-14(21)8-6-13/h5-10,17H,2-4,11H2,1H3,(H2,22,23,24,25)/t17-/m0/s1
InChIKeyJVYGNBHPBSAXPJ-KRWDZBQOSA-N
MW365.41 g/mol
LogP3.42
Rot. Bonds2

About [(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone

[(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 95837261) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is [(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID95837261
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name[(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCc1nc(N)c2ccc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)nc2n1
InChIInChI=1S/C20H20FN5O/c1-12-23-18(22)15-9-10-16(25-19(15)24-12)17-4-2-3-11-26(17)20(27)13-5-7-14(21)8-6-13/h5-10,17H,2-4,11H2,1H3,(H2,22,23,24,25)/t17-/m0/s1
InChIKeyJVYGNBHPBSAXPJ-KRWDZBQOSA-N
XLogP3.42
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95837288
(4-fluorophenyl)-[(2S)-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)azetidin-1-yl]methanone
CID 95847413
(4-fluorophenyl)-[(2R)-2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)azetidin-1-yl]methanone
CID 95847414
[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836745
3-amino-6-[1-(3,5-difluorobenzoyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 110110482
[2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 70754050
(4-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586683
(4-fluorophenyl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731701
2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636594
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95836728
2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110248981
(4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110267180

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 95837261) is [(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is Cc1nc(N)c2ccc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)nc2n1.
What is the InChIKey of [(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is JVYGNBHPBSAXPJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-12-23-18(22)15-9-10-16(25-19(15)24-12)17-4-2-3-11-26(17)20(27)13-5-7-14(21)8-6-13/h5-10,17H,2-4,11H2,1H3,(H2,22,23,24,25)/t17-/m0/s1.
What are the key properties of [(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
[(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 365.41 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 95837261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).