N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C96H100F5N23O6 — CID 160683813

IUPACN-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)N(C)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1.N#Cc1ccc(OCC2CN(Cc3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)C2)cc1.O=C(Nc1nc2cccc(-c3ccc(CN4CCC(F)(F)C4)cc3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C28H26N6O2.C24H28N6O2.C23H25F3N6O.C21H21F2N5O/c29-14-19-6-12-24(13-7-19)36-18-21-16-33(17-21)15-20-4-8-22(9-5-20)25-2-1-3-26-30-28(32-34(25)26)31-27(35)23-10-11-23;1-16(31)28(2)20-12-13-29(15-20)14-17-6-8-18(9-7-17)21-4-3-5-22-25-24(27-30(21)22)26-23(32)19-10-11-19;24-23(25,26)15-31-12-10-30(11-13-31)14-16-4-6-17(7-5-16)19-2-1-3-20-27-22(29-32(19)20)28-21(33)18-8-9-18;22-21(23)10-11-27(13-21)12-14-4-6-15(7-5-14)17-2-1-3-18-24-20(26-28(17)18)25-19(29)16-8-9-16/h1-9,12-13,21,23H,10-11,15-18H2,(H,31,32,35);3-9,19-20H,10-15H2,1-2H3,(H,26,27,32);1-7,18H,8-15H2,(H,28,29,33);1-7,16H,8-13H2,(H,25,26,29)
InChIKeyROMMQKXKPBNOSA-UHFFFAOYSA-N
MW1767.00 g/mol
LogP13.94
Rot. Bonds25

About N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 160683813) has the molecular formula C96H100F5N23O6 and a molecular weight of 1767.00 g/mol. Its IUPAC name is N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID160683813
Molecular FormulaC96H100F5N23O6
Molecular Weight1767.00 g/mol
Exact Mass1765.81
IUPAC NameN-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)N(C)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1.N#Cc1ccc(OCC2CN(Cc3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)C2)cc1.O=C(Nc1nc2cccc(-c3ccc(CN4CCC(F)(F)C4)cc3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C28H26N6O2.C24H28N6O2.C23H25F3N6O.C21H21F2N5O/c29-14-19-6-12-24(13-7-19)36-18-21-16-33(17-21)15-20-4-8-22(9-5-20)25-2-1-3-26-30-28(32-34(25)26)31-27(35)23-10-11-23;1-16(31)28(2)20-12-13-29(15-20)14-17-6-8-18(9-7-17)21-4-3-5-22-25-24(27-30(21)22)26-23(32)19-10-11-19;24-23(25,26)15-31-12-10-30(11-13-31)14-16-4-6-17(7-5-16)19-2-1-3-20-27-22(29-32(19)20)28-21(33)18-8-9-18;22-21(23)10-11-27(13-21)12-14-4-6-15(7-5-14)17-2-1-3-18-24-20(26-28(17)18)25-19(29)16-8-9-16/h1-9,12-13,21,23H,10-11,15-18H2,(H,31,32,35);3-9,19-20H,10-15H2,1-2H3,(H,26,27,32);1-7,18H,8-15H2,(H,28,29,33);1-7,16H,8-13H2,(H,25,26,29)
InChIKeyROMMQKXKPBNOSA-UHFFFAOYSA-N
XLogP13.94
TPSA306.69 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001767.00
LogP ≤ 513.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 160683813) is N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CC(=O)N(C)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1.N#Cc1ccc(OCC2CN(Cc3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)C2)cc1.O=C(Nc1nc2cccc(-c3ccc(CN4CCC(F)(F)C4)cc3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3ccc(CN4CCN(CC(F)(F)F)CC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is ROMMQKXKPBNOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2.C24H28N6O2.C23H25F3N6O.C21H21F2N5O/c29-14-19-6-12-24(13-7-19)36-18-21-16-33(17-21)15-20-4-8-22(9-5-20)25-2-1-3-26-30-28(32-34(25)26)31-27(35)23-10-11-23;1-16(31)28(2)20-12-13-29(15-20)14-17-6-8-18(9-7-17)21-4-3-5-22-25-24(27-30(21)22)26-23(32)19-10-11-19;24-23(25,26)15-31-12-10-30(11-13-31)14-16-4-6-17(7-5-16)19-2-1-3-20-27-22(29-32(19)20)28-21(33)18-8-9-18;22-21(23)10-11-27(13-21)12-14-4-6-15(7-5-14)17-2-1-3-18-24-20(26-28(17)18)25-19(29)16-8-9-16/h1-9,12-13,21,23H,10-11,15-18H2,(H,31,32,35);3-9,19-20H,10-15H2,1-2H3,(H,26,27,32);1-7,18H,8-15H2,(H,28,29,33);1-7,16H,8-13H2,(H,25,26,29).
What are the key properties of N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 1767.00 g/mol, XLogP of 13.94, 25 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[3-[(4-cyanophenoxy)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 160683813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).