2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one

C20H23ClN4O — CID 151203060

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCC(CC)n1c(=O)ccc2cnc(N[C@@H](C)c3ccc(Cl)cc3)nc21
InChIInChI=1S/C20H23ClN4O/c1-4-17(5-2)25-18(26)11-8-15-12-22-20(24-19(15)25)23-13(3)14-6-9-16(21)10-7-14/h6-13,17H,4-5H2,1-3H3,(H,22,23,24)/t13-/m0/s1
InChIKeyNIRZDQZDFLRRIO-ZDUSSCGKSA-N
MW370.88 g/mol
LogP4.98
Rot. Bonds6

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 151203060) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID151203060
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCC(CC)n1c(=O)ccc2cnc(N[C@@H](C)c3ccc(Cl)cc3)nc21
InChIInChI=1S/C20H23ClN4O/c1-4-17(5-2)25-18(26)11-8-15-12-22-20(24-19(15)25)23-13(3)14-6-9-16(21)10-7-14/h6-13,17H,4-5H2,1-3H3,(H,22,23,24)/t13-/m0/s1
InChIKeyNIRZDQZDFLRRIO-ZDUSSCGKSA-N
XLogP4.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 150995646
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-[(3,4-difluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 151367866
8-propan-2-yl-2-[[(1S)-1-[4-[(1R)-1-(4-prop-2-enoylpiperazin-1-yl)propyl]phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 151572744
ethyl 2-[2-[[(1S)-1-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]ethyl]amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propanoate
CID 151385279
methyl 4-[(1S)-1-[(8-benzyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]ethyl]benzoate
CID 150217004
8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one
CID 175513356
8-[(1S)-1-cyclopropylethyl]-2-[[(1S)-1-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-fluorophenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one;methane
CID 158285722
benzyl 4-[4-[(1S)-1-[[8-[(2S)-3-methylbutan-2-yl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]phenyl]piperazine-1-carboxylate
CID 150697088
8-ethyl-2-[[(1S)-1-[4-[[(2R)-2-propan-2-yl-4-prop-1-enylpiperazin-1-yl]methyl]phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 175513346
8-ethyl-2-[[(1S)-1-[4-[[(2S)-2-propan-2-yl-4-prop-1-enylpiperazin-1-yl]methyl]phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 175513361
2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 18374883
N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide
CID 150812735

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one (CID 151203060) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one is CCC(CC)n1c(=O)ccc2cnc(N[C@@H](C)c3ccc(Cl)cc3)nc21.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NIRZDQZDFLRRIO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-4-17(5-2)25-18(26)11-8-15-12-22-20(24-19(15)25)23-13(3)14-6-9-16(21)10-7-14/h6-13,17H,4-5H2,1-3H3,(H,22,23,24)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 370.88 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 151203060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).