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

C26H33N9O — CID 139530528

IUPACN-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCN(C)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C26H33N9O/c1-27-26(36)34-11-12-35-22(16-34)24(29-25(35)17-7-9-31(2)10-8-17)18-5-6-21-20(13-18)23(30-33(21)4)19-14-28-32(3)15-19/h5-6,13-15,17H,7-12,16H2,1-4H3,(H,27,36)
InChIKeyZKZUOKYCNRFGON-UHFFFAOYSA-N
MW487.61 g/mol
LogP2.80
Rot. Bonds3

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

N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530528) has the molecular formula C26H33N9O and a molecular weight of 487.61 g/mol. Its IUPAC name is N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530528
Molecular FormulaC26H33N9O
Molecular Weight487.61 g/mol
Exact Mass487.28
IUPAC NameN-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCN(C)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C26H33N9O/c1-27-26(36)34-11-12-35-22(16-34)24(29-25(35)17-7-9-31(2)10-8-17)18-5-6-21-20(13-18)23(30-33(21)4)19-14-28-32(3)15-19/h5-6,13-15,17H,7-12,16H2,1-4H3,(H,27,36)
InChIKeyZKZUOKYCNRFGON-UHFFFAOYSA-N
XLogP2.80
TPSA89.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530528) is N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCN(C)CC3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.
What is the InChIKey of N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is ZKZUOKYCNRFGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N9O/c1-27-26(36)34-11-12-35-22(16-34)24(29-25(35)17-7-9-31(2)10-8-17)18-5-6-21-20(13-18)23(30-33(21)4)19-14-28-32(3)15-19/h5-6,13-15,17H,7-12,16H2,1-4H3,(H,27,36).
What are the key properties of N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 487.61 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).