8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one

C29H32N6O — CID 91186907

IUPAC8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one
SMILESCN1CCN(CCc2cccc(Nc3ncc4c(=O)ccn(-c5ccc6c(c5)CCC6)c4n3)c2)CC1
InChIInChI=1S/C29H32N6O/c1-33-14-16-34(17-15-33)12-10-21-4-2-7-24(18-21)31-29-30-20-26-27(36)11-13-35(28(26)32-29)25-9-8-22-5-3-6-23(22)19-25/h2,4,7-9,11,13,18-20H,3,5-6,10,12,14-17H2,1H3,(H,30,31,32)
InChIKeySYFKHIUMQARTRU-UHFFFAOYSA-N
MW480.62 g/mol
LogP3.80
Rot. Bonds6

About 8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one

8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one (PubChem CID 91186907) has the molecular formula C29H32N6O and a molecular weight of 480.62 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one
PubChem CID91186907
Molecular FormulaC29H32N6O
Molecular Weight480.62 g/mol
Exact Mass480.26
IUPAC Name8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one
SMILESCN1CCN(CCc2cccc(Nc3ncc4c(=O)ccn(-c5ccc6c(c5)CCC6)c4n3)c2)CC1
InChIInChI=1S/C29H32N6O/c1-33-14-16-34(17-15-33)12-10-21-4-2-7-24(18-21)31-29-30-20-26-27(36)11-13-35(28(26)32-29)25-9-8-22-5-3-6-23(22)19-25/h2,4,7-9,11,13,18-20H,3,5-6,10,12,14-17H2,1H3,(H,30,31,32)
InChIKeySYFKHIUMQARTRU-UHFFFAOYSA-N
XLogP3.80
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 25222985
8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-methylsulfonylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-5-one
CID 90721562
2-[4-[2-(4-acetylpiperazin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 59724000
8-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 59723987
ethyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperazin-1-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 68678399
2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(azetidin-1-yl)ethyl]anilino]-8-(4-ethylphenyl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[3-(2-methoxyethoxy)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 158491197
8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one
CID 91144575
8-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluoroanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 141171388
N-[3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]amino]-5-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
CID 122474541
2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one
CID 71096321
2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86620190
ethyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 69099129

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one (CID 91186907) is 8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one is CN1CCN(CCc2cccc(Nc3ncc4c(=O)ccn(-c5ccc6c(c5)CCC6)c4n3)c2)CC1.
What is the InChIKey of 8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is SYFKHIUMQARTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O/c1-33-14-16-34(17-15-33)12-10-21-4-2-7-24(18-21)31-29-30-20-26-27(36)11-13-35(28(26)32-29)25-9-8-22-5-3-6-23(22)19-25/h2,4,7-9,11,13,18-20H,3,5-6,10,12,14-17H2,1H3,(H,30,31,32).
What are the key properties of 8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one?
8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 480.62 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1H-inden-5-yl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]anilino]pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 91186907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).