3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C27H33N9O2 — CID 139530416

IUPAC3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCN(C(C)=O)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C27H33N9O2/c1-17(37)34-9-7-18(8-10-34)26-30-25(23-16-35(27(38)28-2)11-12-36(23)26)19-5-6-22-21(13-19)24(31-33(22)4)20-14-29-32(3)15-20/h5-6,13-15,18H,7-12,16H2,1-4H3,(H,28,38)
InChIKeyIKGWSWGGABAJNM-UHFFFAOYSA-N
MW515.62 g/mol
LogP2.72
Rot. Bonds3

About 3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530416) has the molecular formula C27H33N9O2 and a molecular weight of 515.62 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530416
Molecular FormulaC27H33N9O2
Molecular Weight515.62 g/mol
Exact Mass515.28
IUPAC Name3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCN(C(C)=O)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C27H33N9O2/c1-17(37)34-9-7-18(8-10-34)26-30-25(23-16-35(27(38)28-2)11-12-36(23)26)19-5-6-22-21(13-19)24(31-33(22)4)20-14-29-32(3)15-20/h5-6,13-15,18H,7-12,16H2,1-4H3,(H,28,38)
InChIKeyIKGWSWGGABAJNM-UHFFFAOYSA-N
XLogP2.72
TPSA106.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.62
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530416) is 3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCN(C(C)=O)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is IKGWSWGGABAJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N9O2/c1-17(37)34-9-7-18(8-10-34)26-30-25(23-16-35(27(38)28-2)11-12-36(23)26)19-5-6-22-21(13-19)24(31-33(22)4)20-14-29-32(3)15-20/h5-6,13-15,18H,7-12,16H2,1-4H3,(H,28,38).
What are the key properties of 3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 515.62 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).