8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C21H24N6O — CID 5330251

IUPAC8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CC5)c4n3)cc2)CC1
InChIInChI=1S/C21H24N6O/c1-25-10-12-26(13-11-25)17-5-3-16(4-6-17)23-21-22-14-15-2-9-19(28)27(18-7-8-18)20(15)24-21/h2-6,9,14,18H,7-8,10-13H2,1H3,(H,22,23,24)
InChIKeyREDXWYHSSILFOH-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.62
Rot. Bonds4

About 8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330251) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330251
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CC5)c4n3)cc2)CC1
InChIInChI=1S/C21H24N6O/c1-25-10-12-26(13-11-25)17-5-3-16(4-6-17)23-21-22-14-15-2-9-19(28)27(18-7-8-18)20(15)24-21/h2-6,9,14,18H,7-8,10-13H2,1H3,(H,22,23,24)
InChIKeyREDXWYHSSILFOH-UHFFFAOYSA-N
XLogP2.62
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
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Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
8-Ethyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330199
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 5330251) is 8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CC5)c4n3)cc2)CC1.
What is the InChIKey of 8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is REDXWYHSSILFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-25-10-12-26(13-11-25)17-5-3-16(4-6-17)23-21-22-14-15-2-9-19(28)27(18-7-8-18)20(15)24-21/h2-6,9,14,18H,7-8,10-13H2,1H3,(H,22,23,24).
What are the key properties of 8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 376.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).