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

C20H20ClN7O — CID 139530335

IUPAC1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(Cl)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C20H20ClN7O/c1-12(29)27-6-7-28-17(11-27)19(23-20(28)21)13-4-5-16-15(8-13)18(24-26(16)3)14-9-22-25(2)10-14/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyCIDOMNLJGCBFRO-UHFFFAOYSA-N
MW409.88 g/mol
LogP2.85
Rot. Bonds2

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

1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139530335) has the molecular formula C20H20ClN7O and a molecular weight of 409.88 g/mol. Its IUPAC name is 1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID139530335
Molecular FormulaC20H20ClN7O
Molecular Weight409.88 g/mol
Exact Mass409.14
IUPAC Name1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(Cl)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C20H20ClN7O/c1-12(29)27-6-7-28-17(11-27)19(23-20(28)21)13-4-5-16-15(8-13)18(24-26(16)3)14-9-22-25(2)10-14/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyCIDOMNLJGCBFRO-UHFFFAOYSA-N
XLogP2.85
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139530335) is 1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(Cl)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.
What is the InChIKey of 1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is CIDOMNLJGCBFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O/c1-12(29)27-6-7-28-17(11-27)19(23-20(28)21)13-4-5-16-15(8-13)18(24-26(16)3)14-9-22-25(2)10-14/h4-5,8-10H,6-7,11H2,1-3H3.
What are the key properties of 1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 409.88 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139530335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).