N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide

C21H17ClFN9O — CID 139490636

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide
SMILESO=C(c1cn[nH]n1)N(Cc1cn2ncc(C3CC3)cc2n1)Cc1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C21H17ClFN9O/c22-15-3-4-30-11-24-17(20(30)19(15)23)10-31(21(33)16-7-25-29-28-16)8-14-9-32-18(27-14)5-13(6-26-32)12-1-2-12/h3-7,9,11-12H,1-2,8,10H2,(H,25,28,29)
InChIKeyJNQJKHBSYZGVJZ-UHFFFAOYSA-N
MW465.88 g/mol
LogP3.01
Rot. Bonds6

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide (PubChem CID 139490636) has the molecular formula C21H17ClFN9O and a molecular weight of 465.88 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide
PubChem CID139490636
Molecular FormulaC21H17ClFN9O
Molecular Weight465.88 g/mol
Exact Mass465.12
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide
SMILESO=C(c1cn[nH]n1)N(Cc1cn2ncc(C3CC3)cc2n1)Cc1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C21H17ClFN9O/c22-15-3-4-30-11-24-17(20(30)19(15)23)10-31(21(33)16-7-25-29-28-16)8-14-9-32-18(27-14)5-13(6-26-32)12-1-2-12/h3-7,9,11-12H,1-2,8,10H2,(H,25,28,29)
InChIKeyJNQJKHBSYZGVJZ-UHFFFAOYSA-N
XLogP3.01
TPSA109.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.88
LogP ≤ 53.01
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]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide (CID 139490636) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide is O=C(c1cn[nH]n1)N(Cc1cn2ncc(C3CC3)cc2n1)Cc1ncn2ccc(Cl)c(F)c12.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide?
The InChIKey is JNQJKHBSYZGVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN9O/c22-15-3-4-30-11-24-17(20(30)19(15)23)10-31(21(33)16-7-25-29-28-16)8-14-9-32-18(27-14)5-13(6-26-32)12-1-2-12/h3-7,9,11-12H,1-2,8,10H2,(H,25,28,29).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide has a molecular weight of 465.88 g/mol, XLogP of 3.01, 6 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]-N-[(7-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 139490636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).