5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one

C24H24ClN5O2 — CID 177233936

IUPAC5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one
SMILESCc1nc2cc([C@H]3CCO[C@@H](c4cnn(C)c4)C3)c(=O)n(-c3ccc(Cl)cc3)c2nc1C
InChIInChI=1S/C24H24ClN5O2/c1-14-15(2)28-23-21(27-14)11-20(24(31)30(23)19-6-4-18(25)5-7-19)16-8-9-32-22(10-16)17-12-26-29(3)13-17/h4-7,11-13,16,22H,8-10H2,1-3H3/t16-,22+/m0/s1
InChIKeyUPYYJEAMRHEIDR-KSFYIVLOSA-N
MW449.94 g/mol
LogP4.42
Rot. Bonds3

About 5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one

5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 177233936) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one
PubChem CID177233936
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one
SMILESCc1nc2cc([C@H]3CCO[C@@H](c4cnn(C)c4)C3)c(=O)n(-c3ccc(Cl)cc3)c2nc1C
InChIInChI=1S/C24H24ClN5O2/c1-14-15(2)28-23-21(27-14)11-20(24(31)30(23)19-6-4-18(25)5-7-19)16-8-9-32-22(10-16)17-12-26-29(3)13-17/h4-7,11-13,16,22H,8-10H2,1-3H3/t16-,22+/m0/s1
InChIKeyUPYYJEAMRHEIDR-KSFYIVLOSA-N
XLogP4.42
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one
CID 177234012
8-(4-chlorophenyl)-2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine-4,7-dione
CID 177233983
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157044391
8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine
CID 178069922
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157044971
8-(4-chlorophenyl)-3-methyl-6-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-2-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-one
CID 172612161
8-(4-chlorophenyl)-3-methyl-6-[(4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one
CID 172612101
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
CID 157045878
5-(4-chloro-2-fluorophenyl)-2-methyl-7-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157045194
5-(4-chloro-2-fluorophenyl)-7-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[3,4-b]pyrazine
CID 166561383
10-(4-chloro-2-fluorophenyl)-12-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]-1,8,11-triazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 177152190
8-(4-chloro-2-fluorophenyl)-2-(difluoromethyl)-3-methyl-6-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrimido[5,4-d]pyrimidin-4-one
CID 172612170

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one (CID 177233936) is 5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one is Cc1nc2cc([C@H]3CCO[C@@H](c4cnn(C)c4)C3)c(=O)n(-c3ccc(Cl)cc3)c2nc1C.
What is the InChIKey of 5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one?
The InChIKey is UPYYJEAMRHEIDR-KSFYIVLOSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-14-15(2)28-23-21(27-14)11-20(24(31)30(23)19-6-4-18(25)5-7-19)16-8-9-32-22(10-16)17-12-26-29(3)13-17/h4-7,11-13,16,22H,8-10H2,1-3H3/t16-,22+/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one?
5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 449.94 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 177233936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).