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

C19H19ClN4O — CID 150995646

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@H](Nc1ncc2ccc(=O)n(CC3CC3)c2n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O/c1-12(14-4-7-16(20)8-5-14)22-19-21-10-15-6-9-17(25)24(18(15)23-19)11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,21,22,23)/t12-/m0/s1
InChIKeyLTAPMNWOOPAYJL-LBPRGKRZSA-N
MW354.84 g/mol
LogP4.03
Rot. Bonds5

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

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 150995646) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID150995646
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@H](Nc1ncc2ccc(=O)n(CC3CC3)c2n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O/c1-12(14-4-7-16(20)8-5-14)22-19-21-10-15-6-9-17(25)24(18(15)23-19)11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,21,22,23)/t12-/m0/s1
InChIKeyLTAPMNWOOPAYJL-LBPRGKRZSA-N
XLogP4.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-[(3,4-difluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 151367866
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
CID 151203060
N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide
CID 150812735
1-(cyclopropylmethyl)-7-[[(1S)-1-[4-[2-cyclopropyl-1-(4-prop-2-enoylpiperazin-1-yl)ethyl]phenyl]ethyl]amino]pyrimido[4,5-d]pyrimidin-2-one
CID 166926376
methyl 4-[(1S)-1-[(8-benzyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]ethyl]benzoate
CID 150217004
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-[[(1S)-1-[4-[[4-[(E)-but-2-enoyl]piperazin-1-yl]methyl]phenyl]ethyl]amino]-8-(2,2-dimethylpropyl)pyrido[2,3-d]pyrimidin-7-one
CID 150961435
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-(2-chloro-6-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-9-(pyrrolidin-3-ylmethyl)purin-2-amine
CID 58155605
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
8-(cyclohexylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374998

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 150995646) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one is C[C@H](Nc1ncc2ccc(=O)n(CC3CC3)c2n1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LTAPMNWOOPAYJL-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-12(14-4-7-16(20)8-5-14)22-19-21-10-15-6-9-17(25)24(18(15)23-19)11-13-2-3-13/h4-10,12-13H,2-3,11H2,1H3,(H,21,22,23)/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 354.84 g/mol, XLogP of 4.03, 5 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-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 150995646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).