6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C34H42N8O3 — CID 70934239

IUPAC6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cnc(C2CCCN(C)C2)nc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(CC2CCOCC2)c1=O
InChIInChI=1S/C34H42N8O3/c1-22-17-36-31(25-4-3-12-41(2)21-25)39-30(22)28-16-26-18-37-34(38-27-7-5-24(6-8-27)29-19-35-11-15-45-29)40-32(26)42(33(28)43)20-23-9-13-44-14-10-23/h5-8,16-18,23,25,29,35H,3-4,9-15,19-21H2,1-2H3,(H,37,38,40)
InChIKeyHRFKLAWABIDABA-UHFFFAOYSA-N
MW610.76 g/mol
LogP4.20
Rot. Bonds7

About 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70934239) has the molecular formula C34H42N8O3 and a molecular weight of 610.76 g/mol. Its IUPAC name is 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70934239
Molecular FormulaC34H42N8O3
Molecular Weight610.76 g/mol
Exact Mass610.34
IUPAC Name6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cnc(C2CCCN(C)C2)nc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(CC2CCOCC2)c1=O
InChIInChI=1S/C34H42N8O3/c1-22-17-36-31(25-4-3-12-41(2)21-25)39-30(22)28-16-26-18-37-34(38-27-7-5-24(6-8-27)29-19-35-11-15-45-29)40-32(26)42(33(28)43)20-23-9-13-44-14-10-23/h5-8,16-18,23,25,29,35H,3-4,9-15,19-21H2,1-2H3,(H,37,38,40)
InChIKeyHRFKLAWABIDABA-UHFFFAOYSA-N
XLogP4.20
TPSA119.32 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 70934239) is 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cnc(C2CCCN(C)C2)nc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(CC2CCOCC2)c1=O.
What is the InChIKey of 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HRFKLAWABIDABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N8O3/c1-22-17-36-31(25-4-3-12-41(2)21-25)39-30(22)28-16-26-18-37-34(38-27-7-5-24(6-8-27)29-19-35-11-15-45-29)40-32(26)42(33(28)43)20-23-9-13-44-14-10-23/h5-8,16-18,23,25,29,35H,3-4,9-15,19-21H2,1-2H3,(H,37,38,40).
What are the key properties of 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 610.76 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-2-(4-morpholin-2-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70934239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).