2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one

C32H36N8O4 — CID 167345460

IUPAC2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one
SMILESCOCCN1CCn2nc(Nc3cc(-c4ccnc(-n5ccn6c7c(cc6c5=O)CCCC7)c4CO)cn(C)c3=O)cc2C1
InChIInChI=1S/C32H36N8O4/c1-36-18-22(15-26(31(36)42)34-29-17-23-19-37(13-14-44-2)9-12-40(23)35-29)24-7-8-33-30(25(24)20-41)39-11-10-38-27-6-4-3-5-21(27)16-28(38)32(39)43/h7-8,10-11,15-18,41H,3-6,9,12-14,19-20H2,1-2H3,(H,34,35)
InChIKeyHTPWGNFZIHBPAV-UHFFFAOYSA-N
MW596.69 g/mol
LogP2.62
Rot. Bonds8

About 2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one

2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one (PubChem CID 167345460) has the molecular formula C32H36N8O4 and a molecular weight of 596.69 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one
PubChem CID167345460
Molecular FormulaC32H36N8O4
Molecular Weight596.69 g/mol
Exact Mass596.29
IUPAC Name2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one
SMILESCOCCN1CCn2nc(Nc3cc(-c4ccnc(-n5ccn6c7c(cc6c5=O)CCCC7)c4CO)cn(C)c3=O)cc2C1
InChIInChI=1S/C32H36N8O4/c1-36-18-22(15-26(31(36)42)34-29-17-23-19-37(13-14-44-2)9-12-40(23)35-29)24-7-8-33-30(25(24)20-41)39-11-10-38-27-6-4-3-5-21(27)16-28(38)32(39)43/h7-8,10-11,15-18,41H,3-6,9,12-14,19-20H2,1-2H3,(H,34,35)
InChIKeyHTPWGNFZIHBPAV-UHFFFAOYSA-N
XLogP2.62
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.69
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one with MolForge

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Related Compounds

2-[4-[5-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 86684316
2-[4-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 71556955
10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;sulfane
CID 165045972
10-[3-(hydroxymethyl)-4-[1-methyl-5-[(5-methyl-2-pyridinyl)amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one
CID 164749373
10-[3-(hydroxymethyl)-4-[1-methyl-6-oxo-5-[(1-propan-2-yltriazol-4-yl)amino]-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one
CID 164749381
2-[4-(hydroxymethyl)-3-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 172817024
2-[5-fluoro-2-(hydroxymethyl)-3-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-3-pyridinyl]phenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 54596582
10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-[(5S)-5-methyl-3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;sulfane
CID 165037410
[4-[1-methyl-6-oxo-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)-3-pyridinyl]-2-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2-yl)-3-pyridinyl]methyl acetate
CID 86684385
7,7-difluoro-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-8,9-dihydro-6H-pyrazino[1,2-a]indol-1-one;sulfane
CID 165036491
10-[3-(hydroxymethyl)-4-[5-[[5-[(2S)-4-(2-methoxyethyl)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one;sulfane
CID 165100404
2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 58043837

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one?
The IUPAC name of 2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one (CID 167345460) is 2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one?
The canonical SMILES for 2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one is COCCN1CCn2nc(Nc3cc(-c4ccnc(-n5ccn6c7c(cc6c5=O)CCCC7)c4CO)cn(C)c3=O)cc2C1.
What is the InChIKey of 2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one?
The InChIKey is HTPWGNFZIHBPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O4/c1-36-18-22(15-26(31(36)42)34-29-17-23-19-37(13-14-44-2)9-12-40(23)35-29)24-7-8-33-30(25(24)20-41)39-11-10-38-27-6-4-3-5-21(27)16-28(38)32(39)43/h7-8,10-11,15-18,41H,3-6,9,12-14,19-20H2,1-2H3,(H,34,35).
What are the key properties of 2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one?
2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one has a molecular weight of 596.69 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 167345460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).