4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one

C26H23F2N5O2 — CID 155657861

IUPAC4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
SMILESCC1C(=O)N(CC(F)F)c2ccc(N3C(=O)c4ccccc4C3c3cccnc3)nc2N1C1CC1
InChIInChI=1S/C26H23F2N5O2/c1-15-25(34)31(14-21(27)28)20-10-11-22(30-24(20)32(15)17-8-9-17)33-23(16-5-4-12-29-13-16)18-6-2-3-7-19(18)26(33)35/h2-7,10-13,15,17,21,23H,8-9,14H2,1H3
InChIKeyALJDBTNTADWMEZ-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.20
Rot. Bonds5

About 4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one

4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 155657861) has the molecular formula C26H23F2N5O2 and a molecular weight of 475.50 g/mol. Its IUPAC name is 4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
PubChem CID155657861
Molecular FormulaC26H23F2N5O2
Molecular Weight475.50 g/mol
Exact Mass475.18
IUPAC Name4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
SMILESCC1C(=O)N(CC(F)F)c2ccc(N3C(=O)c4ccccc4C3c3cccnc3)nc2N1C1CC1
InChIInChI=1S/C26H23F2N5O2/c1-15-25(34)31(14-21(27)28)20-10-11-22(30-24(20)32(15)17-8-9-17)33-23(16-5-4-12-29-13-16)18-6-2-3-7-19(18)26(33)35/h2-7,10-13,15,17,21,23H,8-9,14H2,1H3
InChIKeyALJDBTNTADWMEZ-UHFFFAOYSA-N
XLogP4.20
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one with MolForge

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Related Compounds

4-cyclopropyl-1-(fluoromethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 139404681
4-cyclopropyl-1,3-dimethyl-6-(4-methylsulfonyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 155657858
1,3-dimethyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
CID 155385073
(7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one
CID 155385071
8-cyclopropyl-5,7-dimethyl-2-(3-oxo-1-phenyl-1H-isoindol-2-yl)-7H-pteridin-6-one;methane
CID 158797544
(3R)-1,3,4-trimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 139404589
8-cyclopropyl-5,7-dimethyl-2-[3-oxo-1-[4-(trifluoromethyl)phenyl]-1H-isoindol-2-yl]-7H-pteridin-6-one;methane
CID 159374229
4-cyclopropyl-6-[1-(4-fluorophenyl)-3-oxo-6,7-dihydro-1H-isoindol-2-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 155394842
(3R)-1,3-dimethyl-6-(4-methylsulfanyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
CID 155394911
(3R)-1,3-dimethyl-6-(4-methylsulfinyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)pyrido[2,3-b][1,4]oxazin-2-one
CID 139404648
N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide
CID 155385128
2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 51644910

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one (CID 155657861) is 4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one is CC1C(=O)N(CC(F)F)c2ccc(N3C(=O)c4ccccc4C3c3cccnc3)nc2N1C1CC1.
What is the InChIKey of 4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is ALJDBTNTADWMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O2/c1-15-25(34)31(14-21(27)28)20-10-11-22(30-24(20)32(15)17-8-9-17)33-23(16-5-4-12-29-13-16)18-6-2-3-7-19(18)26(33)35/h2-7,10-13,15,17,21,23H,8-9,14H2,1H3.
What are the key properties of 4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one?
4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 475.50 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-6-(3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 155657861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).