N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide

C19H14ClFN8O — CID 139487958

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3ncccc3n2)cn1
InChIInChI=1S/C19H14ClFN8O/c20-13-3-5-28-11-24-14(18(28)17(13)21)6-22-19(30)15-9-27(10-23-15)7-12-8-29-16(26-12)2-1-4-25-29/h1-5,8-11H,6-7H2,(H,22,30)
InChIKeyFRQGCIVYEOXBAC-UHFFFAOYSA-N
MW424.83 g/mol
LogP2.34
Rot. Bonds5

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide (PubChem CID 139487958) has the molecular formula C19H14ClFN8O and a molecular weight of 424.83 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide
PubChem CID139487958
Molecular FormulaC19H14ClFN8O
Molecular Weight424.83 g/mol
Exact Mass424.10
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3ncccc3n2)cn1
InChIInChI=1S/C19H14ClFN8O/c20-13-3-5-28-11-24-14(18(28)17(13)21)6-22-19(30)15-9-27(10-23-15)7-12-8-29-16(26-12)2-1-4-25-29/h1-5,8-11H,6-7H2,(H,22,30)
InChIKeyFRQGCIVYEOXBAC-UHFFFAOYSA-N
XLogP2.34
TPSA94.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.83
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide (CID 139487958) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3ncccc3n2)cn1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide?
The InChIKey is FRQGCIVYEOXBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN8O/c20-13-3-5-28-11-24-14(18(28)17(13)21)6-22-19(30)15-9-27(10-23-15)7-12-8-29-16(26-12)2-1-4-25-29/h1-5,8-11H,6-7H2,(H,22,30).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide has a molecular weight of 424.83 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-(imidazo[1,2-b]pyridazin-2-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 139487958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).