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

C23H22ClN5O2 — CID 177381180

IUPAC6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCOC)c2n1
InChIInChI=1S/C23H22ClN5O2/c1-14-5-4-6-20(27-14)15-7-8-17(19(24)12-15)18-11-16-13-26-23(25-2)28-21(16)29(22(18)30)9-10-31-3/h4-8,11-13H,9-10H2,1-3H3,(H,25,26,28)
InChIKeySPIQQRISTXTNBC-UHFFFAOYSA-N
MW435.92 g/mol
LogP4.17
Rot. Bonds6

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

6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 177381180) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID177381180
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCOC)c2n1
InChIInChI=1S/C23H22ClN5O2/c1-14-5-4-6-20(27-14)15-7-8-17(19(24)12-15)18-11-16-13-26-23(25-2)28-21(16)29(22(18)30)9-10-31-3/h4-8,11-13H,9-10H2,1-3H3,(H,25,26,28)
InChIKeySPIQQRISTXTNBC-UHFFFAOYSA-N
XLogP4.17
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 54.17
H-Bond Donors ≤ 51
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]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (CID 177381180) is 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCOC)c2n1.
What is the InChIKey of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SPIQQRISTXTNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-14-5-4-6-20(27-14)15-7-8-17(19(24)12-15)18-11-16-13-26-23(25-2)28-21(16)29(22(18)30)9-10-31-3/h4-8,11-13H,9-10H2,1-3H3,(H,25,26,28).
What are the key properties of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 435.92 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 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]-8-(2-methoxyethyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 177381180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).