(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride

C46H43Cl3F2N16O3 — CID 159052219

IUPAC(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride
SMILESCC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1.CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)O)nn1.Cl.NCc1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C23H20ClFN8O.C15H15N5O2.C8H7ClFN3.ClH/c1-13(18-10-32-9-15(14-2-3-14)4-5-20(32)28-18)33-11-19(29-30-33)23(34)26-8-17-22-21(25)16(24)6-7-31(22)12-27-17;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;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h4-7,9-14H,2-3,8H2,1H3,(H,26,34);4-10H,2-3H2,1H3,(H,21,22);1-2,4H,3,11H2;1H
InChIKeyIQCNEWYIDHQIJK-UHFFFAOYSA-N
MW1012.31 g/mol
LogP7.90
Rot. Bonds11

About (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride

(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride (PubChem CID 159052219) has the molecular formula C46H43Cl3F2N16O3 and a molecular weight of 1012.31 g/mol. Its IUPAC name is (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride.

Molecular Properties

Compound Name(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride
PubChem CID159052219
Molecular FormulaC46H43Cl3F2N16O3
Molecular Weight1012.31 g/mol
Exact Mass1010.27
IUPAC Name(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride
SMILESCC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1.CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)O)nn1.Cl.NCc1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C23H20ClFN8O.C15H15N5O2.C8H7ClFN3.ClH/c1-13(18-10-32-9-15(14-2-3-14)4-5-20(32)28-18)33-11-19(29-30-33)23(34)26-8-17-22-21(25)16(24)6-7-31(22)12-27-17;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;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h4-7,9-14H,2-3,8H2,1H3,(H,26,34);4-10H,2-3H2,1H3,(H,21,22);1-2,4H,3,11H2;1H
InChIKeyIQCNEWYIDHQIJK-UHFFFAOYSA-N
XLogP7.90
TPSA223.04 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001012.31
LogP ≤ 57.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride with MolForge

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Related Compounds

1-[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]pyrrolidine-3-carboxylic acid
CID 139487317
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]morpholine-2-carboxylate
CID 139487777
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

Frequently Asked Questions

What is the IUPAC name of (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride?
The IUPAC name of (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride (CID 159052219) is (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride.
What is the SMILES notation for (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride?
The canonical SMILES for (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride is CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)nn1.CC(c1cn2cc(C3CC3)ccc2n1)n1cc(C(=O)O)nn1.Cl.NCc1ncn2ccc(Cl)c(F)c12.
What is the InChIKey of (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride?
The InChIKey is IQCNEWYIDHQIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN8O.C15H15N5O2.C8H7ClFN3.ClH/c1-13(18-10-32-9-15(14-2-3-14)4-5-20(32)28-18)33-11-19(29-30-33)23(34)26-8-17-22-21(25)16(24)6-7-31(22)12-27-17;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;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h4-7,9-14H,2-3,8H2,1H3,(H,26,34);4-10H,2-3H2,1H3,(H,21,22);1-2,4H,3,11H2;1H.
What are the key properties of (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride?
(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride has a molecular weight of 1012.31 g/mol, XLogP of 7.90, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-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;hydrochloride is sourced from PubChem (CID 159052219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).