6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one

C24H23ClN6O2 — CID 71558363

IUPAC6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cc(C)c(-c3cnccn3)cc2Cl)cc2cnc(N[C@H]3CCOC3)nc21
InChIInChI=1S/C24H23ClN6O2/c1-3-31-22-15(11-28-24(30-22)29-16-4-7-33-13-16)9-19(23(31)32)18-8-14(2)17(10-20(18)25)21-12-26-5-6-27-21/h5-6,8-12,16H,3-4,7,13H2,1-2H3,(H,28,29,30)/t16-/m0/s1
InChIKeyHQADWNUBINTKQP-INIZCTEOSA-N
MW462.94 g/mol
LogP4.10
Rot. Bonds5

About 6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 71558363) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID71558363
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cc(C)c(-c3cnccn3)cc2Cl)cc2cnc(N[C@H]3CCOC3)nc21
InChIInChI=1S/C24H23ClN6O2/c1-3-31-22-15(11-28-24(30-22)29-16-4-7-33-13-16)9-19(23(31)32)18-8-14(2)17(10-20(18)25)21-12-26-5-6-27-21/h5-6,8-12,16H,3-4,7,13H2,1-2H3,(H,28,29,30)/t16-/m0/s1
InChIKeyHQADWNUBINTKQP-INIZCTEOSA-N
XLogP4.10
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-2-(oxolan-3-ylamino)-8-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 78110871
6-[2-chloro-4-(5-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-2-ylphenyl)-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-2-ylphenyl)-8-(2-methoxyethyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 159033242
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 71559274
6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 71558367
8-ethyl-6-[2-methyl-4-[4-methyl-2-(propylideneamino)hexa-1,3-dien-3-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 123809976
2-[(1-acetylpyrrolidin-3-yl)amino]-6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 71557240
N-[1-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]azetidin-3-yl]prop-2-enamide
CID 118295900
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[(3-methyloxetan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 123751190
6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-ylamino)-8-(2-oxo-4-pyridin-4-ylbutyl)pyrido[2,3-d]pyrimidin-7-one
CID 147732757
8-methyl-6-(2-methylphenyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162333954
6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;ethane
CID 142118172
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-[2-[[1-(3-methylbut-2-enoyl)azetidin-3-yl]amino]ethyl]-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 118295923

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 71558363) is 6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2cc(C)c(-c3cnccn3)cc2Cl)cc2cnc(N[C@H]3CCOC3)nc21.
What is the InChIKey of 6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HQADWNUBINTKQP-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-3-31-22-15(11-28-24(30-22)29-16-4-7-33-13-16)9-19(23(31)32)18-8-14(2)17(10-20(18)25)21-12-26-5-6-27-21/h5-6,8-12,16H,3-4,7,13H2,1-2H3,(H,28,29,30)/t16-/m0/s1.
What are the key properties of 6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 462.94 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-methyl-4-pyrazin-2-ylphenyl)-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71558363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).