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

C25H22FN7OS — CID 139543433

IUPAC1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3c(F)ccc4nc(-c5cnc(C)s5)c(C#N)cc34)c2C1
InChIInChI=1S/C25H22FN7OS/c1-13-29-11-20(35-13)22-15(10-27)9-16-18(30-22)6-5-17(26)21(16)23-19-12-32(25(34)28-2)7-8-33(19)24(31-23)14-3-4-14/h5-6,9,11,14H,3-4,7-8,12H2,1-2H3,(H,28,34)
InChIKeyNZNXGRJTPAVZNR-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.57
Rot. Bonds3

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

1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139543433) has the molecular formula C25H22FN7OS and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139543433
Molecular FormulaC25H22FN7OS
Molecular Weight487.56 g/mol
Exact Mass487.16
IUPAC Name1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3c(F)ccc4nc(-c5cnc(C)s5)c(C#N)cc34)c2C1
InChIInChI=1S/C25H22FN7OS/c1-13-29-11-20(35-13)22-15(10-27)9-16-18(30-22)6-5-17(26)21(16)23-19-12-32(25(34)28-2)7-8-33(19)24(31-23)14-3-4-14/h5-6,9,11,14H,3-4,7-8,12H2,1-2H3,(H,28,34)
InChIKeyNZNXGRJTPAVZNR-UHFFFAOYSA-N
XLogP4.57
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139543433) is 1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC3)nc(-c3c(F)ccc4nc(-c5cnc(C)s5)c(C#N)cc34)c2C1.
What is the InChIKey of 1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is NZNXGRJTPAVZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7OS/c1-13-29-11-20(35-13)22-15(10-27)9-16-18(30-22)6-5-17(26)21(16)23-19-12-32(25(34)28-2)7-8-33(19)24(31-23)14-3-4-14/h5-6,9,11,14H,3-4,7-8,12H2,1-2H3,(H,28,34).
What are the key properties of 1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyano-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-cyclopropyl-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139543433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).