6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one

C27H29ClN6O — CID 177381189

IUPAC6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCC3CCNCC3)c2n1
InChIInChI=1S/C27H29ClN6O/c1-17-4-3-5-24(32-17)19-6-7-21(23(28)15-19)22-14-20-16-31-27(29-2)33-25(20)34(26(22)35)13-10-18-8-11-30-12-9-18/h3-7,14-16,18,30H,8-13H2,1-2H3,(H,29,31,33)
InChIKeyFVWYOWIGSFIIKV-UHFFFAOYSA-N
MW489.02 g/mol
LogP4.91
Rot. Bonds6

About 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 177381189) has the molecular formula C27H29ClN6O and a molecular weight of 489.02 g/mol. Its IUPAC name is 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID177381189
Molecular FormulaC27H29ClN6O
Molecular Weight489.02 g/mol
Exact Mass488.21
IUPAC Name6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCC3CCNCC3)c2n1
InChIInChI=1S/C27H29ClN6O/c1-17-4-3-5-24(32-17)19-6-7-21(23(28)15-19)22-14-20-16-31-27(29-2)33-25(20)34(26(22)35)13-10-18-8-11-30-12-9-18/h3-7,14-16,18,30H,8-13H2,1-2H3,(H,29,31,33)
InChIKeyFVWYOWIGSFIIKV-UHFFFAOYSA-N
XLogP4.91
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.02
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 177381189) is 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one is CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCC3CCNCC3)c2n1.
What is the InChIKey of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FVWYOWIGSFIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6O/c1-17-4-3-5-24(32-17)19-6-7-21(23(28)15-19)22-14-20-16-31-27(29-2)33-25(20)34(26(22)35)13-10-18-8-11-30-12-9-18/h3-7,14-16,18,30H,8-13H2,1-2H3,(H,29,31,33).
What are the key properties of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 489.02 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 177381189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).