N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide

C60H49F9N18O3 — CID 165041814

IUPACN-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
SMILESCCc1ccc(C(F)(F)F)c(-c2cc3cnc(NC(=O)c4ncnn4C)cc3[nH]2)c1.Cc1ccc(C(F)(F)F)c(-c2cc3cnc(NC(=O)c4ncnn4C)cc3[nH]2)c1.Cn1ncnc1C(=O)Nc1cc2[nH]c(-c3cc(C4CC4)ccc3C(F)(F)F)cc2cn1
InChIInChI=1S/C21H17F3N6O.C20H17F3N6O.C19H15F3N6O/c1-30-19(26-10-27-30)20(31)29-18-8-16-13(9-25-18)7-17(28-16)14-6-12(11-2-3-11)4-5-15(14)21(22,23)24;1-3-11-4-5-14(20(21,22)23)13(6-11)16-7-12-9-24-17(8-15(12)27-16)28-19(30)18-25-10-26-29(18)2;1-10-3-4-13(19(20,21)22)12(5-10)15-6-11-8-23-16(7-14(11)26-15)27-18(29)17-24-9-25-28(17)2/h4-11,28H,2-3H2,1H3,(H,25,29,31);4-10,27H,3H2,1-2H3,(H,24,28,30);3-9,26H,1-2H3,(H,23,27,29)
InChIKeyOGCSHECSPNUCHQ-UHFFFAOYSA-N
MW1241.16 g/mol
LogP12.64
Rot. Bonds11

About N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide

N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 165041814) has the molecular formula C60H49F9N18O3 and a molecular weight of 1241.16 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
PubChem CID165041814
Molecular FormulaC60H49F9N18O3
Molecular Weight1241.16 g/mol
Exact Mass1240.41
IUPAC NameN-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
SMILESCCc1ccc(C(F)(F)F)c(-c2cc3cnc(NC(=O)c4ncnn4C)cc3[nH]2)c1.Cc1ccc(C(F)(F)F)c(-c2cc3cnc(NC(=O)c4ncnn4C)cc3[nH]2)c1.Cn1ncnc1C(=O)Nc1cc2[nH]c(-c3cc(C4CC4)ccc3C(F)(F)F)cc2cn1
InChIInChI=1S/C21H17F3N6O.C20H17F3N6O.C19H15F3N6O/c1-30-19(26-10-27-30)20(31)29-18-8-16-13(9-25-18)7-17(28-16)14-6-12(11-2-3-11)4-5-15(14)21(22,23)24;1-3-11-4-5-14(20(21,22)23)13(6-11)16-7-12-9-24-17(8-15(12)27-16)28-19(30)18-25-10-26-29(18)2;1-10-3-4-13(19(20,21)22)12(5-10)15-6-11-8-23-16(7-14(11)26-15)27-18(29)17-24-9-25-28(17)2/h4-11,28H,2-3H2,1H3,(H,25,29,31);4-10,27H,3H2,1-2H3,(H,24,28,30);3-9,26H,1-2H3,(H,23,27,29)
InChIKeyOGCSHECSPNUCHQ-UHFFFAOYSA-N
XLogP12.64
TPSA265.47 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001241.16
LogP ≤ 512.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10544143, Example 919
CID 138686379
(S)-N-(1-(3,5-di(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-4,4,7,7-tetrafluoro-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide
CID 90385592
N-[1-[3,5-bis(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetamide
CID 117600340
N-[(1S)-1-[3,6-bis(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetamide
CID 117600874
N-[1-[3,6-bis(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetamide
CID 117600875
N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-methyl-1,2,4-triazole-3-carboxamide
CID 135289734
N-[2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-methyl-1,2,4-triazole-3-carboxamide
CID 135289823
N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 135296527
N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 135296599
N-[2-[5-cyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 135296637
N-[2-[2-(difluoromethyl)phenyl]-3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 135296643
N-[2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 135296645

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide (CID 165041814) is N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide is CCc1ccc(C(F)(F)F)c(-c2cc3cnc(NC(=O)c4ncnn4C)cc3[nH]2)c1.Cc1ccc(C(F)(F)F)c(-c2cc3cnc(NC(=O)c4ncnn4C)cc3[nH]2)c1.Cn1ncnc1C(=O)Nc1cc2[nH]c(-c3cc(C4CC4)ccc3C(F)(F)F)cc2cn1.
What is the InChIKey of N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is OGCSHECSPNUCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O.C20H17F3N6O.C19H15F3N6O/c1-30-19(26-10-27-30)20(31)29-18-8-16-13(9-25-18)7-17(28-16)14-6-12(11-2-3-11)4-5-15(14)21(22,23)24;1-3-11-4-5-14(20(21,22)23)13(6-11)16-7-12-9-24-17(8-15(12)27-16)28-19(30)18-25-10-26-29(18)2;1-10-3-4-13(19(20,21)22)12(5-10)15-6-11-8-23-16(7-14(11)26-15)27-18(29)17-24-9-25-28(17)2/h4-11,28H,2-3H2,1H3,(H,25,29,31);4-10,27H,3H2,1-2H3,(H,24,28,30);3-9,26H,1-2H3,(H,23,27,29).
What are the key properties of N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide?
N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 1241.16 g/mol, XLogP of 12.64, 11 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 165041814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).