6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

C36H41N7O4 — CID 70934420

IUPAC6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)N1CCCC(c2ccccc2-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)C1
InChIInChI=1S/C36H41N7O4/c1-24(44)42-17-6-7-26(22-42)29-8-2-3-9-30(29)31-19-27-20-38-36(39-28-12-10-25(11-13-28)32-21-37-14-18-47-32)40-34(27)43(35(31)46)23-33(45)41-15-4-5-16-41/h2-3,8-13,19-20,26,32,37H,4-7,14-18,21-23H2,1H3,(H,38,39,40)
InChIKeyOVVLFJUQDZPYFA-UHFFFAOYSA-N
MW635.77 g/mol
LogP4.21
Rot. Bonds7

About 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70934420) has the molecular formula C36H41N7O4 and a molecular weight of 635.77 g/mol. Its IUPAC name is 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70934420
Molecular FormulaC36H41N7O4
Molecular Weight635.77 g/mol
Exact Mass635.32
IUPAC Name6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)N1CCCC(c2ccccc2-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)C1
InChIInChI=1S/C36H41N7O4/c1-24(44)42-17-6-7-26(22-42)29-8-2-3-9-30(29)31-19-27-20-38-36(39-28-12-10-25(11-13-28)32-21-37-14-18-47-32)40-34(27)43(35(31)46)23-33(45)41-15-4-5-16-41/h2-3,8-13,19-20,26,32,37H,4-7,14-18,21-23H2,1H3,(H,38,39,40)
InChIKeyOVVLFJUQDZPYFA-UHFFFAOYSA-N
XLogP4.21
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.77
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 70934420) is 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is CC(=O)N1CCCC(c2ccccc2-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)C1.
What is the InChIKey of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OVVLFJUQDZPYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N7O4/c1-24(44)42-17-6-7-26(22-42)29-8-2-3-9-30(29)31-19-27-20-38-36(39-28-12-10-25(11-13-28)32-21-37-14-18-47-32)40-34(27)43(35(31)46)23-33(45)41-15-4-5-16-41/h2-3,8-13,19-20,26,32,37H,4-7,14-18,21-23H2,1H3,(H,38,39,40).
What are the key properties of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 635.77 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70934420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).