N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide)

C99H93Cl5N30O5 — CID 159834363

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide)
SMILESCn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2cc(Cl)ccc21.Cn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2cc(Cl)ccc21.Cn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2ccc(Cl)cc21.Cn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2ccc(Cl)cc21.O=C(NCCc1nc2ccc(Cl)cc2[nH]1)c1cccn2c(C3CC3)nnc12
InChIInChI=1S/4C20H19ClN6O.C19H17ClN6O/c2*1-26-16-7-6-13(21)11-15(16)23-17(26)8-9-22-20(28)14-3-2-10-27-18(12-4-5-12)24-25-19(14)27;2*1-26-16-11-13(21)6-7-15(16)23-17(26)8-9-22-20(28)14-3-2-10-27-18(12-4-5-12)24-25-19(14)27;20-12-5-6-14-15(10-12)23-16(22-14)7-8-21-19(27)13-2-1-9-26-17(11-3-4-11)24-25-18(13)26/h4*2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,22,28);1-2,5-6,9-11H,3-4,7-8H2,(H,21,27)(H,22,23)
InChIKeyNNWFTJKAKRPADF-UHFFFAOYSA-N
MW1960.30 g/mol
LogP15.59
Rot. Bonds25

About N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide)

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide) (PubChem CID 159834363) has the molecular formula C99H93Cl5N30O5 and a molecular weight of 1960.30 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide).

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide)
PubChem CID159834363
Molecular FormulaC99H93Cl5N30O5
Molecular Weight1960.30 g/mol
Exact Mass1956.64
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide)
SMILESCn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2cc(Cl)ccc21.Cn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2cc(Cl)ccc21.Cn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2ccc(Cl)cc21.Cn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2ccc(Cl)cc21.O=C(NCCc1nc2ccc(Cl)cc2[nH]1)c1cccn2c(C3CC3)nnc12
InChIInChI=1S/4C20H19ClN6O.C19H17ClN6O/c2*1-26-16-7-6-13(21)11-15(16)23-17(26)8-9-22-20(28)14-3-2-10-27-18(12-4-5-12)24-25-19(14)27;2*1-26-16-11-13(21)6-7-15(16)23-17(26)8-9-22-20(28)14-3-2-10-27-18(12-4-5-12)24-25-19(14)27;20-12-5-6-14-15(10-12)23-16(22-14)7-8-21-19(27)13-2-1-9-26-17(11-3-4-11)24-25-18(13)26/h4*2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,22,28);1-2,5-6,9-11H,3-4,7-8H2,(H,21,27)(H,22,23)
InChIKeyNNWFTJKAKRPADF-UHFFFAOYSA-N
XLogP15.59
TPSA396.41 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001960.30
LogP ≤ 515.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide) with MolForge

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Related Compounds

N-[2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46937551
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46937605
[5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;[5-chloro-6-[3-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine
CID 158629411
4-chloro-N-(4-chlorophenyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-pyrazol-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(4H-pyrazol-3-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 159413614
N-[6-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(4,6-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[6-chloro-5-(1-methylbenzimidazol-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 162045223
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46937498
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46937499
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46937778
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46938341
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46938342
3-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 58074676
N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 58074680

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide)?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide) (CID 159834363) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide).
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide)?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide) is Cn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2cc(Cl)ccc21.Cn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2cc(Cl)ccc21.Cn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2ccc(Cl)cc21.Cn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2ccc(Cl)cc21.O=C(NCCc1nc2ccc(Cl)cc2[nH]1)c1cccn2c(C3CC3)nnc12.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide)?
The InChIKey is NNWFTJKAKRPADF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H19ClN6O.C19H17ClN6O/c2*1-26-16-7-6-13(21)11-15(16)23-17(26)8-9-22-20(28)14-3-2-10-27-18(12-4-5-12)24-25-19(14)27;2*1-26-16-11-13(21)6-7-15(16)23-17(26)8-9-22-20(28)14-3-2-10-27-18(12-4-5-12)24-25-19(14)27;20-12-5-6-14-15(10-12)23-16(22-14)7-8-21-19(27)13-2-1-9-26-17(11-3-4-11)24-25-18(13)26/h4*2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,22,28);1-2,5-6,9-11H,3-4,7-8H2,(H,21,27)(H,22,23).
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide)?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide) has a molecular weight of 1960.30 g/mol, XLogP of 15.59, 25 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;bis(N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide);bis(N-[2-(6-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide) is sourced from PubChem (CID 159834363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).