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

C26H25F4N7O — CID 139530326

IUPAC3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-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(F)F)cc34)c2C1
InChIInChI=1S/C26H25F4N7O/c1-31-25(38)36-6-7-37-20(13-36)22(34-24(37)14-9-26(29,30)10-14)16-4-3-5-19-17(16)8-18(23(27)28)21(33-19)15-11-32-35(2)12-15/h3-5,8,11-12,14,23H,6-7,9-10,13H2,1-2H3,(H,31,38)
InChIKeyNYCVEHXCFKANKC-UHFFFAOYSA-N
MW527.53 g/mol
LogP5.10
Rot. Bonds4

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

3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530326) has the molecular formula C26H25F4N7O and a molecular weight of 527.53 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530326
Molecular FormulaC26H25F4N7O
Molecular Weight527.53 g/mol
Exact Mass527.21
IUPAC Name3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-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(F)F)cc34)c2C1
InChIInChI=1S/C26H25F4N7O/c1-31-25(38)36-6-7-37-20(13-36)22(34-24(37)14-9-26(29,30)10-14)16-4-3-5-19-17(16)8-18(23(27)28)21(33-19)15-11-32-35(2)12-15/h3-5,8,11-12,14,23H,6-7,9-10,13H2,1-2H3,(H,31,38)
InChIKeyNYCVEHXCFKANKC-UHFFFAOYSA-N
XLogP5.10
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.53
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530326) is 3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-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(F)F)cc34)c2C1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is NYCVEHXCFKANKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N7O/c1-31-25(38)36-6-7-37-20(13-36)22(34-24(37)14-9-26(29,30)10-14)16-4-3-5-19-17(16)8-18(23(27)28)21(33-19)15-11-32-35(2)12-15/h3-5,8,11-12,14,23H,6-7,9-10,13H2,1-2H3,(H,31,38).
What are the key properties of 3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 527.53 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).