8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one

C28H36N6O — CID 175513356

IUPAC8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC=CN1CCN(C(CC)c2ccc(C(C)Nc3ncc4ccc(=O)n(C5CC5)c4n3)cc2)CC1
InChIInChI=1S/C28H36N6O/c1-4-14-32-15-17-33(18-16-32)25(5-2)22-8-6-21(7-9-22)20(3)30-28-29-19-23-10-13-26(35)34(24-11-12-24)27(23)31-28/h4,6-10,13-14,19-20,24-25H,5,11-12,15-18H2,1-3H3,(H,29,30,31)
InChIKeyXWKCCXHIVJHSIK-UHFFFAOYSA-N
MW472.64 g/mol
LogP4.90
Rot. Bonds8

About 8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one

8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 175513356) has the molecular formula C28H36N6O and a molecular weight of 472.64 g/mol. Its IUPAC name is 8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID175513356
Molecular FormulaC28H36N6O
Molecular Weight472.64 g/mol
Exact Mass472.30
IUPAC Name8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC=CN1CCN(C(CC)c2ccc(C(C)Nc3ncc4ccc(=O)n(C5CC5)c4n3)cc2)CC1
InChIInChI=1S/C28H36N6O/c1-4-14-32-15-17-33(18-16-32)25(5-2)22-8-6-21(7-9-22)20(3)30-28-29-19-23-10-13-26(35)34(24-11-12-24)27(23)31-28/h4,6-10,13-14,19-20,24-25H,5,11-12,15-18H2,1-3H3,(H,29,30,31)
InChIKeyXWKCCXHIVJHSIK-UHFFFAOYSA-N
XLogP4.90
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one
CID 18374892
2-fluoro-4-[(1S)-1-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]ethyl]-N-(1-prop-1-enylpiperidin-4-yl)benzamide
CID 175513354
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
CID 151203060
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 150995646
9-cyclopentyl-2-[[(1S)-1-[4-[3-methyl-1-(4-prop-2-enoylpiperazin-1-yl)butyl]phenyl]ethyl]amino]-7H-purin-8-one
CID 167242681
2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one
CID 18375157
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
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
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 8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one (CID 175513356) is 8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one is CC=CN1CCN(C(CC)c2ccc(C(C)Nc3ncc4ccc(=O)n(C5CC5)c4n3)cc2)CC1.
What is the InChIKey of 8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XWKCCXHIVJHSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O/c1-4-14-32-15-17-33(18-16-32)25(5-2)22-8-6-21(7-9-22)20(3)30-28-29-19-23-10-13-26(35)34(24-11-12-24)27(23)31-28/h4,6-10,13-14,19-20,24-25H,5,11-12,15-18H2,1-3H3,(H,29,30,31).
What are the key properties of 8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 472.64 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-[1-[4-[1-(4-prop-1-enylpiperazin-1-yl)propyl]phenyl]ethylamino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175513356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).