N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65

C21H24N6O — CID 5330251

IUPAC8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=CC(=O)N(C4=N3)C5CC5
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
MW376.50 g/mol
LogP2.50
Rot. Bonds4

About N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65

N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65 (PubChem CID 5330251) has the molecular formula C21H24N6O and a molecular weight of 376.50 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 NameN8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65
PubChem CID5330251
Molecular FormulaC21H24N6O
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Name8-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=CC(=O)N(C4=N3)C5CC5
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
XLogP2.50
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity592

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65?
The IUPAC name of N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65 (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 N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65?
The canonical SMILES for N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65 is CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=CC(=O)N(C4=N3)C5CC5.
What is the InChIKey of N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65?
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 N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65?
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65 has a molecular weight of 376.50 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65 is sourced from PubChem (CID 5330251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).