5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide

C22H28N6O3 — CID 59686879

IUPAC5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide
SMILESCC1(C)CC(=O)c2c(CC3CC3)nn(-c3cnc(C(N)=O)c(NC4CCOC4)n3)c2C1
InChIInChI=1S/C22H28N6O3/c1-22(2)8-15-18(16(29)9-22)14(7-12-3-4-12)27-28(15)17-10-24-19(20(23)30)21(26-17)25-13-5-6-31-11-13/h10,12-13H,3-9,11H2,1-2H3,(H2,23,30)(H,25,26)
InChIKeyHSXAHKXJXLFGPC-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.07
Rot. Bonds6

About 5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide

5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide (PubChem CID 59686879) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide
PubChem CID59686879
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide
SMILESCC1(C)CC(=O)c2c(CC3CC3)nn(-c3cnc(C(N)=O)c(NC4CCOC4)n3)c2C1
InChIInChI=1S/C22H28N6O3/c1-22(2)8-15-18(16(29)9-22)14(7-12-3-4-12)27-28(15)17-10-24-19(20(23)30)21(26-17)25-13-5-6-31-11-13/h10,12-13H,3-9,11H2,1-2H3,(H2,23,30)(H,25,26)
InChIKeyHSXAHKXJXLFGPC-UHFFFAOYSA-N
XLogP2.07
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-(difluoromethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-[(4-hydroxycyclohexyl)amino]pyrazine-2-carboxamide
CID 59686895
2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 24936285
[4-[[3-carbamoyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazin-2-yl]amino]cyclohexyl] 2-aminoacetate
CID 24936934
3-[[1-(2-methylpropyl)piperidin-4-yl]amino]-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 24937063
[2-[[5-carbamoyl-2-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]pyrimidin-4-yl]amino]cyclohexyl] 2-aminoacetate
CID 24936418
4-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-5-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]benzamide
CID 59828691
4-[3-(cyclopropylmethyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl]-3,5-difluoro-2-(oxolan-3-ylamino)benzamide
CID 118939200
2-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 59686874
[4-[2-carbamoyl-5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-4-fluoroanilino]oxolan-2-yl] 3-acetyloxy-4-(dimethylamino)butanoate
CID 118518375
2-[(4-hydroxycyclohexyl)amino]-4-[3-(hydroxymethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]benzamide
CID 59828729
2-(oxetan-3-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 59828733
6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide
CID 139254192

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide (CID 59686879) is 5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide is CC1(C)CC(=O)c2c(CC3CC3)nn(-c3cnc(C(N)=O)c(NC4CCOC4)n3)c2C1.
What is the InChIKey of 5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide?
The InChIKey is HSXAHKXJXLFGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-22(2)8-15-18(16(29)9-22)14(7-12-3-4-12)27-28(15)17-10-24-19(20(23)30)21(26-17)25-13-5-6-31-11-13/h10,12-13H,3-9,11H2,1-2H3,(H2,23,30)(H,25,26).
What are the key properties of 5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide?
5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropylmethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 59686879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).