1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C26H24F2N8O — CID 139530386

IUPAC1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)c2C1
InChIInChI=1S/C26H24F2N8O/c1-30-25(37)35-6-7-36-21(14-35)23(33-24(36)16-9-26(27,28)10-16)18-4-3-5-20-19(18)8-15(11-29)22(32-20)17-12-31-34(2)13-17/h3-5,8,12-13,16H,6-7,9-10,14H2,1-2H3,(H,30,37)
InChIKeyIQEKINOJTACCCR-UHFFFAOYSA-N
MW502.53 g/mol
LogP4.04
Rot. Bonds3

About 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530386) has the molecular formula C26H24F2N8O and a molecular weight of 502.53 g/mol. Its IUPAC name is 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530386
Molecular FormulaC26H24F2N8O
Molecular Weight502.53 g/mol
Exact Mass502.20
IUPAC Name1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)c2C1
InChIInChI=1S/C26H24F2N8O/c1-30-25(37)35-6-7-36-21(14-35)23(33-24(36)16-9-26(27,28)10-16)18-4-3-5-20-19(18)8-15(11-29)22(32-20)17-12-31-34(2)13-17/h3-5,8,12-13,16H,6-7,9-10,14H2,1-2H3,(H,30,37)
InChIKeyIQEKINOJTACCCR-UHFFFAOYSA-N
XLogP4.04
TPSA104.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530386) is 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)c2C1.
What is the InChIKey of 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is IQEKINOJTACCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N8O/c1-30-25(37)35-6-7-36-21(14-35)23(33-24(36)16-9-26(27,28)10-16)18-4-3-5-20-19(18)8-15(11-29)22(32-20)17-12-31-34(2)13-17/h3-5,8,12-13,16H,6-7,9-10,14H2,1-2H3,(H,30,37).
What are the key properties of 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 502.53 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).