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

C25H30N8O — CID 139530459

IUPAC1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CCNCC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C25H30N8O/c1-16(34)32-10-11-33-22(15-32)24(28-25(33)17-6-8-26-9-7-17)18-4-5-21-20(12-18)23(29-31(21)3)19-13-27-30(2)14-19/h4-5,12-14,17,26H,6-11,15H2,1-3H3
InChIKeySYJHAMALTLCSRR-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.67
Rot. Bonds3

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

1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139530459) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139530459
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CCNCC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C25H30N8O/c1-16(34)32-10-11-33-22(15-32)24(28-25(33)17-6-8-26-9-7-17)18-4-5-21-20(12-18)23(29-31(21)3)19-13-27-30(2)14-19/h4-5,12-14,17,26H,6-11,15H2,1-3H3
InChIKeySYJHAMALTLCSRR-UHFFFAOYSA-N
XLogP2.67
TPSA85.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139530459) is 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(C3CCNCC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.
What is the InChIKey of 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is SYJHAMALTLCSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c1-16(34)32-10-11-33-22(15-32)24(28-25(33)17-6-8-26-9-7-17)18-4-5-21-20(12-18)23(29-31(21)3)19-13-27-30(2)14-19/h4-5,12-14,17,26H,6-11,15H2,1-3H3.
What are the key properties of 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 458.57 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-piperidin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139530459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).