N-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

C17H24N4O2 — CID 91890109

IUPACN-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C17H24N4O2/c1-12(2)7-8-18-15(22)11-20-9-10-21-16(17(20)23)13-5-3-4-6-14(13)19-21/h9-10,12H,3-8,11H2,1-2H3,(H,18,22)
InChIKeyKSIRVWHGFXDNDJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.54
Rot. Bonds5

About N-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

N-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 91890109) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID91890109
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C17H24N4O2/c1-12(2)7-8-18-15(22)11-20-9-10-21-16(17(20)23)13-5-3-4-6-14(13)19-21/h9-10,12H,3-8,11H2,1-2H3,(H,18,22)
InChIKeyKSIRVWHGFXDNDJ-UHFFFAOYSA-N
XLogP1.54
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[2-(Diethylamino)ethyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45488805
5-(cyclohexylmethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160022
1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160773
(S)-N-(2,6-Dioxopiperidin-3-yl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 150391238
1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-1-one
CID 16956491
2-(1-(tert-butyl)-4-isopropyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)-N-methylacetamide
CID 44037111
2-(1-(tert-butyl)-4-isopropyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)-N-propylacetamide
CID 44037112
N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395087
2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide
CID 46395094
N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395180
N-{2-[ethyl(methyl)amino]butyl}-3-isobutyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70730086
N-cyclohexyl-N-methyl-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890131

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 91890109) is N-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is CC(C)CCNC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3.
What is the InChIKey of N-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is KSIRVWHGFXDNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)7-8-18-15(22)11-20-9-10-21-16(17(20)23)13-5-3-4-6-14(13)19-21/h9-10,12H,3-8,11H2,1-2H3,(H,18,22).
What are the key properties of N-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide has a molecular weight of 316.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 91890109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).