1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid

C48H46Cl2F2N16O3 — CID 159404730

IUPAC1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid
SMILESCC(N)c1ncn2ccc(Cl)c(F)c12.CC(NC(=O)c1cn(C(C)c2cn3cc(C4CC4)ccc3n2)nn1)c1ncn2ccc(Cl)c(F)c12.CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)O)nn1
InChIInChI=1S/C24H22ClFN8O.C15H15N5O2.C9H9ClFN3/c1-13(22-23-21(26)17(25)7-8-32(23)12-27-22)28-24(35)19-11-34(31-30-19)14(2)18-10-33-9-16(15-3-4-15)5-6-20(33)29-18;1-9(20-8-13(15(21)22)17-18-20)12-7-19-6-11(10-2-3-10)4-5-14(19)16-12;1-5(12)8-9-7(11)6(10)2-3-14(9)4-13-8/h5-15H,3-4H2,1-2H3,(H,28,35);4-10H,2-3H2,1H3,(H,21,22);2-5H,12H2,1H3
InChIKeyLNUPFFHEGIMASP-UHFFFAOYSA-N
MW1003.91 g/mol
LogP8.60
Rot. Bonds11

About 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid

1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid (PubChem CID 159404730) has the molecular formula C48H46Cl2F2N16O3 and a molecular weight of 1003.91 g/mol. Its IUPAC name is 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid
PubChem CID159404730
Molecular FormulaC48H46Cl2F2N16O3
Molecular Weight1003.91 g/mol
Exact Mass1002.33
IUPAC Name1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid
SMILESCC(N)c1ncn2ccc(Cl)c(F)c12.CC(NC(=O)c1cn(C(C)c2cn3cc(C4CC4)ccc3n2)nn1)c1ncn2ccc(Cl)c(F)c12.CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)O)nn1
InChIInChI=1S/C24H22ClFN8O.C15H15N5O2.C9H9ClFN3/c1-13(22-23-21(26)17(25)7-8-32(23)12-27-22)28-24(35)19-11-34(31-30-19)14(2)18-10-33-9-16(15-3-4-15)5-6-20(33)29-18;1-9(20-8-13(15(21)22)17-18-20)12-7-19-6-11(10-2-3-10)4-5-14(19)16-12;1-5(12)8-9-7(11)6(10)2-3-14(9)4-13-8/h5-15H,3-4H2,1-2H3,(H,28,35);4-10H,2-3H2,1H3,(H,21,22);2-5H,12H2,1H3
InChIKeyLNUPFFHEGIMASP-UHFFFAOYSA-N
XLogP8.60
TPSA223.04 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001003.91
LogP ≤ 58.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid with MolForge

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Related Compounds

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 139487399
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 139487440
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(difluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 139487442
1-[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]imidazole-4-carboxylic acid
CID 139487562
Ethyl 1-[[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]pyrazole-4-carboxylate
CID 139487645
1-[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid
CID 139487654
1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide
CID 139487674
4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylic acid
CID 139487725
4-[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylic acid
CID 139487762
Ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,2,4-triazole-3-carboxylate
CID 139487829
1-[[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]pyrazole-3-carboxylic acid
CID 139487833
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
CID 139487844

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid (CID 159404730) is 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid is CC(N)c1ncn2ccc(Cl)c(F)c12.CC(NC(=O)c1cn(C(C)c2cn3cc(C4CC4)ccc3n2)nn1)c1ncn2ccc(Cl)c(F)c12.CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)O)nn1.
What is the InChIKey of 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid?
The InChIKey is LNUPFFHEGIMASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN8O.C15H15N5O2.C9H9ClFN3/c1-13(22-23-21(26)17(25)7-8-32(23)12-27-22)28-24(35)19-11-34(31-30-19)14(2)18-10-33-9-16(15-3-4-15)5-6-20(33)29-18;1-9(20-8-13(15(21)22)17-18-20)12-7-19-6-11(10-2-3-10)4-5-14(19)16-12;1-5(12)8-9-7(11)6(10)2-3-14(9)4-13-8/h5-15H,3-4H2,1-2H3,(H,28,35);4-10H,2-3H2,1H3,(H,21,22);2-5H,12H2,1H3.
What are the key properties of 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid?
1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid has a molecular weight of 1003.91 g/mol, XLogP of 8.60, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethanamine;N-[1-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxamide;1-[1-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 159404730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).