1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide

C23H28N6O — CID 162221833

IUPAC1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC1(C)CCN(c2cnc3c(n2)CN=C3N2CCCc3cc(C(N)=O)ccc32)CC1
InChIInChI=1S/C23H28N6O/c1-23(2)7-10-28(11-8-23)19-14-25-20-17(27-19)13-26-22(20)29-9-3-4-15-12-16(21(24)30)5-6-18(15)29/h5-6,12,14H,3-4,7-11,13H2,1-2H3,(H2,24,30)
InChIKeyKGSJJCYTXARCQF-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.91
Rot. Bonds2

About 1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 162221833) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID162221833
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC1(C)CCN(c2cnc3c(n2)CN=C3N2CCCc3cc(C(N)=O)ccc32)CC1
InChIInChI=1S/C23H28N6O/c1-23(2)7-10-28(11-8-23)19-14-25-20-17(27-19)13-26-22(20)29-9-3-4-15-12-16(21(24)30)5-6-18(15)29/h5-6,12,14H,3-4,7-11,13H2,1-2H3,(H2,24,30)
InChIKeyKGSJJCYTXARCQF-UHFFFAOYSA-N
XLogP2.91
TPSA87.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
CID 159724926
1-[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N-methyl-2,3-dihydroindole-5-carboxamide;tert-butyl N-[[1-(7-iodo-5H-pyrrolo[3,4-b]pyrazin-3-yl)-4-methylpiperidin-4-yl]methyl]carbamate;1-[3-[4-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-2,3-dihydroindole-5-carboxylic acid
CID 161206921
(3S,4S)-3-methyl-8-[7-[6-(1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 158828843
(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 159265437
3-amino-4-(4,4-dimethylazepan-1-yl)benzamide
CID 65283334
(1S)-1-amino-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile
CID 161452087
(3S,4S)-3-methyl-8-[7-[6-(1,2-oxazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 159243833
tert-butyl N-[[1-[3-(6-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate
CID 134473832
(3S,4S)-3-methyl-8-[7-[6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 158044741
(8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
CID 158965602
tert-butyl N-[(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-yl]carbamate;tert-butyl N-[(1S,2S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-yl]carbamate;tert-butyl N-[(1S,2R)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-amine;bis((1S,2R)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-amine);1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-amine;methyl thiohypofluorite
CID 167576489
(1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine
CID 167539373

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 162221833) is 1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide is CC1(C)CCN(c2cnc3c(n2)CN=C3N2CCCc3cc(C(N)=O)ccc32)CC1.
What is the InChIKey of 1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is KGSJJCYTXARCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-23(2)7-10-28(11-8-23)19-14-25-20-17(27-19)13-26-22(20)29-9-3-4-15-12-16(21(24)30)5-6-18(15)29/h5-6,12,14H,3-4,7-11,13H2,1-2H3,(H2,24,30).
What are the key properties of 1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,4-dimethylpiperidin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-7-yl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 162221833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).