8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

C25H27N5O2 — CID 54761583

IUPAC8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
SMILESCC#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H27N5O2/c1-2-5-18-14-19-15-27-25(29-23(19)30(24(18)31)21-6-3-4-7-21)28-20-10-8-17(9-11-20)22-16-26-12-13-32-22/h8-11,14-15,21-22,26H,3-4,6-7,12-13,16H2,1H3,(H,27,28,29)
InChIKeyFTLDQEWSIRERHA-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.68
Rot. Bonds4

About 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 54761583) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
PubChem CID54761583
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
SMILESCC#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H27N5O2/c1-2-5-18-14-19-15-27-25(29-23(19)30(24(18)31)21-6-3-4-7-21)28-20-10-8-17(9-11-20)22-16-26-12-13-32-22/h8-11,14-15,21-22,26H,3-4,6-7,12-13,16H2,1H3,(H,27,28,29)
InChIKeyFTLDQEWSIRERHA-UHFFFAOYSA-N
XLogP3.68
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (CID 54761583) is 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is CC#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FTLDQEWSIRERHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-2-5-18-14-19-15-27-25(29-23(19)30(24(18)31)21-6-3-4-7-21)28-20-10-8-17(9-11-20)22-16-26-12-13-32-22/h8-11,14-15,21-22,26H,3-4,6-7,12-13,16H2,1H3,(H,27,28,29).
What are the key properties of 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 429.52 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 54761583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).