2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C24H26FN7O2 — CID 139530450

IUPAC2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCn1cc(-c2nn(C)c3ccc(-c4nc(C5CCOC5)n5c4CN(C(=O)CF)CC5)cc23)cn1
InChIInChI=1S/C24H26FN7O2/c1-29-12-17(11-26-29)22-18-9-15(3-4-19(18)30(2)28-22)23-20-13-31(21(33)10-25)6-7-32(20)24(27-23)16-5-8-34-14-16/h3-4,9,11-12,16H,5-8,10,13-14H2,1-2H3
InChIKeyDNPQLQWTVARREM-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.65
Rot. Bonds4

About 2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139530450) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139530450
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCn1cc(-c2nn(C)c3ccc(-c4nc(C5CCOC5)n5c4CN(C(=O)CF)CC5)cc23)cn1
InChIInChI=1S/C24H26FN7O2/c1-29-12-17(11-26-29)22-18-9-15(3-4-19(18)30(2)28-22)23-20-13-31(21(33)10-25)6-7-32(20)24(27-23)16-5-8-34-14-16/h3-4,9,11-12,16H,5-8,10,13-14H2,1-2H3
InChIKeyDNPQLQWTVARREM-UHFFFAOYSA-N
XLogP2.65
TPSA83.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139530450) is 2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is Cn1cc(-c2nn(C)c3ccc(-c4nc(C5CCOC5)n5c4CN(C(=O)CF)CC5)cc23)cn1.
What is the InChIKey of 2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is DNPQLQWTVARREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-29-12-17(11-26-29)22-18-9-15(3-4-19(18)30(2)28-22)23-20-13-31(21(33)10-25)6-7-32(20)24(27-23)16-5-8-34-14-16/h3-4,9,11-12,16H,5-8,10,13-14H2,1-2H3.
What are the key properties of 2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 463.52 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139530450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).