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

C26H25N5O4S — CID 155657858

IUPAC4-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
SMILESCC1C(=O)N(C)c2ccc(N3C(=O)c4c(cccc4S(C)(=O)=O)C3c3cccnc3)nc2N1C1CC1
InChIInChI=1S/C26H25N5O4S/c1-15-25(32)29(2)19-11-12-21(28-24(19)30(15)17-9-10-17)31-23(16-6-5-13-27-14-16)18-7-4-8-20(36(3,34)35)22(18)26(31)33/h4-8,11-15,17,23H,9-10H2,1-3H3
InChIKeyYLVCADWXCJWKDZ-UHFFFAOYSA-N
MW503.58 g/mol
LogP2.96
Rot. Bonds4

About 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

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 (PubChem CID 155657858) has the molecular formula C26H25N5O4S and a molecular weight of 503.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID155657858
Molecular FormulaC26H25N5O4S
Molecular Weight503.58 g/mol
Exact Mass503.16
IUPAC Name4-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
SMILESCC1C(=O)N(C)c2ccc(N3C(=O)c4c(cccc4S(C)(=O)=O)C3c3cccnc3)nc2N1C1CC1
InChIInChI=1S/C26H25N5O4S/c1-15-25(32)29(2)19-11-12-21(28-24(19)30(15)17-9-10-17)31-23(16-6-5-13-27-14-16)18-7-4-8-20(36(3,34)35)22(18)26(31)33/h4-8,11-15,17,23H,9-10H2,1-3H3
InChIKeyYLVCADWXCJWKDZ-UHFFFAOYSA-N
XLogP2.96
TPSA103.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

(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
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-(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
(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
(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
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
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
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
8-cyclopropyl-5,7-dimethyl-2-(3-oxo-1-phenyl-1H-isoindol-2-yl)-7H-pteridin-6-one;methane
CID 158797544
(3R)-6-chloro-4-cyclopentyl-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 121412212
8-cyclopropyl-5,7-dimethyl-2-[3-oxo-1-[4-(trifluoromethyl)phenyl]-1H-isoindol-2-yl]-7H-pteridin-6-one;methane
CID 159374229

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C(=O)N(C)c2ccc(N3C(=O)c4c(cccc4S(C)(=O)=O)C3c3cccnc3)nc2N1C1CC1.
What is the InChIKey of 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?
The InChIKey is YLVCADWXCJWKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4S/c1-15-25(32)29(2)19-11-12-21(28-24(19)30(15)17-9-10-17)31-23(16-6-5-13-27-14-16)18-7-4-8-20(36(3,34)35)22(18)26(31)33/h4-8,11-15,17,23H,9-10H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 503.58 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155657858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).