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

C24H29F2N5O2 — CID 177234012

IUPAC5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one
SMILESCc1nc2cc(C3CCOC(c4cnn(C)c4)C3)c(=O)n(C3CCC(F)(F)CC3)c2nc1C
InChIInChI=1S/C24H29F2N5O2/c1-14-15(2)29-22-20(28-14)11-19(23(32)31(22)18-4-7-24(25,26)8-5-18)16-6-9-33-21(10-16)17-12-27-30(3)13-17/h11-13,16,18,21H,4-10H2,1-3H3
InChIKeyLXIHRDGZIMTUOC-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.53
Rot. Bonds3

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

5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 177234012) has the molecular formula C24H29F2N5O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one
PubChem CID177234012
Molecular FormulaC24H29F2N5O2
Molecular Weight457.53 g/mol
Exact Mass457.23
IUPAC Name5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one
SMILESCc1nc2cc(C3CCOC(c4cnn(C)c4)C3)c(=O)n(C3CCC(F)(F)CC3)c2nc1C
InChIInChI=1S/C24H29F2N5O2/c1-14-15(2)29-22-20(28-14)11-19(23(32)31(22)18-4-7-24(25,26)8-5-18)16-6-9-33-21(10-16)17-12-27-30(3)13-17/h11-13,16,18,21H,4-10H2,1-3H3
InChIKeyLXIHRDGZIMTUOC-UHFFFAOYSA-N
XLogP4.53
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione
CID 177234123
4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157045008
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
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridine
CID 166123326
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
2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine
CID 166122367
8-(4-chlorophenyl)-2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine-4,7-dione
CID 177233983
7-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethyl-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[3,4-b]pyrazine
CID 157044736
4-(4-bromooxan-2-yl)-1-methylpyrazole
CID 157045046
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157044971
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

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 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) is 5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one is Cc1nc2cc(C3CCOC(c4cnn(C)c4)C3)c(=O)n(C3CCC(F)(F)CC3)c2nc1C.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one?
The InChIKey is LXIHRDGZIMTUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O2/c1-14-15(2)29-22-20(28-14)11-19(23(32)31(22)18-4-7-24(25,26)8-5-18)16-6-9-33-21(10-16)17-12-27-30(3)13-17/h11-13,16,18,21H,4-10H2,1-3H3.
What are the key properties of 5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one?
5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 457.53 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 177234012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).