N-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide

C23H18F2N6OS — CID 97361986

IUPACN-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1nc(Cn2cnc(-c3nc(C(=O)NCc4cc(F)cc(F)c4)c4ccccn34)c2)cs1
InChIInChI=1S/C23H18F2N6OS/c1-14-28-18(12-33-14)10-30-11-19(27-13-30)22-29-21(20-4-2-3-5-31(20)22)23(32)26-9-15-6-16(24)8-17(25)7-15/h2-8,11-13H,9-10H2,1H3,(H,26,32)
InChIKeyBRPFIZPDDJLJAO-UHFFFAOYSA-N
MW464.50 g/mol
LogP4.22
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide

N-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 97361986) has the molecular formula C23H18F2N6OS and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID97361986
Molecular FormulaC23H18F2N6OS
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC NameN-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1nc(Cn2cnc(-c3nc(C(=O)NCc4cc(F)cc(F)c4)c4ccccn34)c2)cs1
InChIInChI=1S/C23H18F2N6OS/c1-14-28-18(12-33-14)10-30-11-19(27-13-30)22-29-21(20-4-2-3-5-31(20)22)23(32)26-9-15-6-16(24)8-17(25)7-15/h2-8,11-13H,9-10H2,1H3,(H,26,32)
InChIKeyBRPFIZPDDJLJAO-UHFFFAOYSA-N
XLogP4.22
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide (CID 97361986) is N-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide is Cc1nc(Cn2cnc(-c3nc(C(=O)NCc4cc(F)cc(F)c4)c4ccccn34)c2)cs1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is BRPFIZPDDJLJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6OS/c1-14-28-18(12-33-14)10-30-11-19(27-13-30)22-29-21(20-4-2-3-5-31(20)22)23(32)26-9-15-6-16(24)8-17(25)7-15/h2-8,11-13H,9-10H2,1H3,(H,26,32).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide?
N-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 97361986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).