6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one

C32H33N7O2 — CID 70934447

IUPAC6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(C2CCCC2)cnc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2=NC=CC2)c1=O
InChIInChI=1S/C32H33N7O2/c1-20-15-23(21-5-2-3-6-21)17-35-29(20)26-16-24-18-36-32(38-30(24)39(31(26)40)28-7-4-12-34-28)37-25-10-8-22(9-11-25)27-19-33-13-14-41-27/h4,8-12,15-18,21,27,33H,2-3,5-7,13-14,19H2,1H3,(H,36,37,38)
InChIKeyNMCHIAFBFCRHEY-UHFFFAOYSA-N
MW547.66 g/mol
LogP5.39
Rot. Bonds5

About 6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one

6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70934447) has the molecular formula C32H33N7O2 and a molecular weight of 547.66 g/mol. Its IUPAC name is 6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70934447
Molecular FormulaC32H33N7O2
Molecular Weight547.66 g/mol
Exact Mass547.27
IUPAC Name6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(C2CCCC2)cnc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2=NC=CC2)c1=O
InChIInChI=1S/C32H33N7O2/c1-20-15-23(21-5-2-3-6-21)17-35-29(20)26-16-24-18-36-32(38-30(24)39(31(26)40)28-7-4-12-34-28)37-25-10-8-22(9-11-25)27-19-33-13-14-41-27/h4,8-12,15-18,21,27,33H,2-3,5-7,13-14,19H2,1H3,(H,36,37,38)
InChIKeyNMCHIAFBFCRHEY-UHFFFAOYSA-N
XLogP5.39
TPSA106.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 70934447) is 6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(C2CCCC2)cnc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2=NC=CC2)c1=O.
What is the InChIKey of 6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NMCHIAFBFCRHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O2/c1-20-15-23(21-5-2-3-6-21)17-35-29(20)26-16-24-18-36-32(38-30(24)39(31(26)40)28-7-4-12-34-28)37-25-10-8-22(9-11-25)27-19-33-13-14-41-27/h4,8-12,15-18,21,27,33H,2-3,5-7,13-14,19H2,1H3,(H,36,37,38).
What are the key properties of 6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 547.66 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70934447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).