N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

C26H25BrFN7O — CID 155624266

IUPACN-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCCCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Br)c(F)c45)cn3)nc12
InChIInChI=1S/C26H25BrFN7O/c1-2-3-17-8-18(16-4-5-16)11-34-13-20(32-25(17)34)14-35-12-19(9-31-35)26(36)29-10-22-24-23(28)21(27)6-7-33(24)15-30-22/h6-9,11-13,15-16H,2-5,10,14H2,1H3,(H,29,36)
InChIKeyPEQQTLVSFKYSOP-UHFFFAOYSA-N
MW550.44 g/mol
LogP4.89
Rot. Bonds8

About N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 155624266) has the molecular formula C26H25BrFN7O and a molecular weight of 550.44 g/mol. Its IUPAC name is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID155624266
Molecular FormulaC26H25BrFN7O
Molecular Weight550.44 g/mol
Exact Mass549.13
IUPAC NameN-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCCCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Br)c(F)c45)cn3)nc12
InChIInChI=1S/C26H25BrFN7O/c1-2-3-17-8-18(16-4-5-16)11-34-13-20(32-25(17)34)14-35-12-19(9-31-35)26(36)29-10-22-24-23(28)21(27)6-7-33(24)15-30-22/h6-9,11-13,15-16H,2-5,10,14H2,1H3,(H,29,36)
InChIKeyPEQQTLVSFKYSOP-UHFFFAOYSA-N
XLogP4.89
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 155624266) is N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is CCCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Br)c(F)c45)cn3)nc12.
What is the InChIKey of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is PEQQTLVSFKYSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrFN7O/c1-2-3-17-8-18(16-4-5-16)11-34-13-20(32-25(17)34)14-35-12-19(9-31-35)26(36)29-10-22-24-23(28)21(27)6-7-33(24)15-30-22/h6-9,11-13,15-16H,2-5,10,14H2,1H3,(H,29,36).
What are the key properties of N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 550.44 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 155624266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).