4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one

C29H37N7O — CID 175912537

IUPAC4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one
SMILESCCCCC(CC)c1c(C)c(=O)n(C)c2ccnc(N3CCN(C)c4cc(-c5cnn(C)c5)ncc43)c12
InChIInChI=1S/C29H37N7O/c1-7-9-10-20(8-2)26-19(3)29(37)35(6)23-11-12-30-28(27(23)26)36-14-13-33(4)24-15-22(31-17-25(24)36)21-16-32-34(5)18-21/h11-12,15-18,20H,7-10,13-14H2,1-6H3
InChIKeyCMVIHSORSDZHPZ-UHFFFAOYSA-N
MW499.66 g/mol
LogP5.31
Rot. Bonds7

About 4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one

4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one (PubChem CID 175912537) has the molecular formula C29H37N7O and a molecular weight of 499.66 g/mol. Its IUPAC name is 4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one
PubChem CID175912537
Molecular FormulaC29H37N7O
Molecular Weight499.66 g/mol
Exact Mass499.31
IUPAC Name4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one
SMILESCCCCC(CC)c1c(C)c(=O)n(C)c2ccnc(N3CCN(C)c4cc(-c5cnn(C)c5)ncc43)c12
InChIInChI=1S/C29H37N7O/c1-7-9-10-20(8-2)26-19(3)29(37)35(6)23-11-12-30-28(27(23)26)36-14-13-33(4)24-15-22(31-17-25(24)36)21-16-32-34(5)18-21/h11-12,15-18,20H,7-10,13-14H2,1-6H3
InChIKeyCMVIHSORSDZHPZ-UHFFFAOYSA-N
XLogP5.31
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one with MolForge

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Related Compounds

1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane
CID 162753841
1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,6-naphthyridin-2-one
CID 162754043
[1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-2-oxoquinolin-7-yl] trifluoromethanesulfonate
CID 162753706
hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683
4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane
CID 145091251
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide
CID 122274633
tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate
CID 162753878
[2-(1-methylpyrazol-4-yl)-4-pyridinyl]hydrazine
CID 102825252
4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 162753645
7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one
CID 136771932
1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160683703
3-methyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122245927

Frequently Asked Questions

What is the IUPAC name of 4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one?
The IUPAC name of 4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one (CID 175912537) is 4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one.
What is the SMILES notation for 4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one?
The canonical SMILES for 4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one is CCCCC(CC)c1c(C)c(=O)n(C)c2ccnc(N3CCN(C)c4cc(-c5cnn(C)c5)ncc43)c12.
What is the InChIKey of 4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one?
The InChIKey is CMVIHSORSDZHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O/c1-7-9-10-20(8-2)26-19(3)29(37)35(6)23-11-12-30-28(27(23)26)36-14-13-33(4)24-15-22(31-17-25(24)36)21-16-32-34(5)18-21/h11-12,15-18,20H,7-10,13-14H2,1-6H3.
What are the key properties of 4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one?
4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one has a molecular weight of 499.66 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-3-yl-1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-1,6-naphthyridin-2-one is sourced from PubChem (CID 175912537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).