10-fluoro-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

C32H35FN8O4 — CID 164749453

IUPAC10-fluoro-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
SMILESCOCCN1CCn2nc(Nc3cc(-c4ccnc(-n5ccn6c7c(c(F)c6c5=O)CCCC7)c4CO)cn(C)c3=O)cc2C1
InChIInChI=1S/C32H35FN8O4/c1-37-17-20(15-25(31(37)43)35-27-16-21-18-38(13-14-45-2)9-12-41(21)36-27)22-7-8-34-30(24(22)19-42)40-11-10-39-26-6-4-3-5-23(26)28(33)29(39)32(40)44/h7-8,10-11,15-17,42H,3-6,9,12-14,18-19H2,1-2H3,(H,35,36)
InChIKeyUGCMSXZFEIIDSJ-UHFFFAOYSA-N
MW614.68 g/mol
LogP2.76
Rot. Bonds8

About 10-fluoro-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

10-fluoro-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 164749453) has the molecular formula C32H35FN8O4 and a molecular weight of 614.68 g/mol. Its IUPAC name is 10-fluoro-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 Name10-fluoro-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 CID164749453
Molecular FormulaC32H35FN8O4
Molecular Weight614.68 g/mol
Exact Mass614.28
IUPAC Name10-fluoro-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
SMILESCOCCN1CCn2nc(Nc3cc(-c4ccnc(-n5ccn6c7c(c(F)c6c5=O)CCCC7)c4CO)cn(C)c3=O)cc2C1
InChIInChI=1S/C32H35FN8O4/c1-37-17-20(15-25(31(37)43)35-27-16-21-18-38(13-14-45-2)9-12-41(21)36-27)22-7-8-34-30(24(22)19-42)40-11-10-39-26-6-4-3-5-23(26)28(33)29(39)32(40)44/h7-8,10-11,15-17,42H,3-6,9,12-14,18-19H2,1-2H3,(H,35,36)
InChIKeyUGCMSXZFEIIDSJ-UHFFFAOYSA-N
XLogP2.76
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.68
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 10-fluoro-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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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-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 10-fluoro-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 164749453) is 10-fluoro-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 10-fluoro-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 10-fluoro-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(c(F)c6c5=O)CCCC7)c4CO)cn(C)c3=O)cc2C1.
What is the InChIKey of 10-fluoro-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 UGCMSXZFEIIDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN8O4/c1-37-17-20(15-25(31(37)43)35-27-16-21-18-38(13-14-45-2)9-12-41(21)36-27)22-7-8-34-30(24(22)19-42)40-11-10-39-26-6-4-3-5-23(26)28(33)29(39)32(40)44/h7-8,10-11,15-17,42H,3-6,9,12-14,18-19H2,1-2H3,(H,35,36).
What are the key properties of 10-fluoro-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?
10-fluoro-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 614.68 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-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 164749453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).