N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide

C99H91F5N14O8 — CID 167536866

IUPACN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(CF)c3cn[nH]c23)ccc1-c1cccc(F)c1.CN(Cc1c(F)ccc2cn[nH]c12)C(=O)c1cc(F)c(-c2ccccc2)c(OC2CC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(C2CCCC2)c(OC2CC2)c1.CN(Cc1cnc(C#N)c2cn[nH]c12)C(=O)c1cc(F)c(-c2ccccc2)c(OC2CC2)c1
InChIInChI=1S/C25H21F2N3O2.C25H23F2N3O2.C25H20FN5O2.C24H27N3O2/c1-30(14-19-20(26)10-7-16-13-28-29-24(16)19)25(31)17-11-21(27)23(15-5-3-2-4-6-15)22(12-17)32-18-8-9-18;1-3-32-23-12-17(9-10-21(23)16-5-4-6-20(27)11-16)25(31)30(2)15-19-8-7-18(13-26)22-14-28-29-24(19)22;1-31(14-17-12-28-21(11-27)19-13-29-30-24(17)19)25(32)16-9-20(26)23(15-5-3-2-4-6-15)22(10-16)33-18-7-8-18;1-27(15-19-8-4-7-18-14-25-26-23(18)19)24(28)17-9-12-21(16-5-2-3-6-16)22(13-17)29-20-10-11-20/h2-7,10-13,18H,8-9,14H2,1H3,(H,28,29);4-12,14H,3,13,15H2,1-2H3,(H,28,29);2-6,9-10,12-13,18H,7-8,14H2,1H3,(H,29,30);4,7-9,12-14,16,20H,2-3,5-6,10-11,15H2,1H3,(H,25,26)
InChIKeyARCMKPBLJOGFDD-UHFFFAOYSA-N
MW1699.90 g/mol
LogP20.31
Rot. Bonds25

About N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide

N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 167536866) has the molecular formula C99H91F5N14O8 and a molecular weight of 1699.90 g/mol. Its IUPAC name is N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide
PubChem CID167536866
Molecular FormulaC99H91F5N14O8
Molecular Weight1699.90 g/mol
Exact Mass1698.71
IUPAC NameN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(CF)c3cn[nH]c23)ccc1-c1cccc(F)c1.CN(Cc1c(F)ccc2cn[nH]c12)C(=O)c1cc(F)c(-c2ccccc2)c(OC2CC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(C2CCCC2)c(OC2CC2)c1.CN(Cc1cnc(C#N)c2cn[nH]c12)C(=O)c1cc(F)c(-c2ccccc2)c(OC2CC2)c1
InChIInChI=1S/C25H21F2N3O2.C25H23F2N3O2.C25H20FN5O2.C24H27N3O2/c1-30(14-19-20(26)10-7-16-13-28-29-24(16)19)25(31)17-11-21(27)23(15-5-3-2-4-6-15)22(12-17)32-18-8-9-18;1-3-32-23-12-17(9-10-21(23)16-5-4-6-20(27)11-16)25(31)30(2)15-19-8-7-18(13-26)22-14-28-29-24(19)22;1-31(14-17-12-28-21(11-27)19-13-29-30-24(17)19)25(32)16-9-20(26)23(15-5-3-2-4-6-15)22(10-16)33-18-7-8-18;1-27(15-19-8-4-7-18-14-25-26-23(18)19)24(28)17-9-12-21(16-5-2-3-6-16)22(13-17)29-20-10-11-20/h2-7,10-13,18H,8-9,14H2,1H3,(H,28,29);4-12,14H,3,13,15H2,1-2H3,(H,28,29);2-6,9-10,12-13,18H,7-8,14H2,1H3,(H,29,30);4,7-9,12-14,16,20H,2-3,5-6,10-11,15H2,1H3,(H,25,26)
InChIKeyARCMKPBLJOGFDD-UHFFFAOYSA-N
XLogP20.31
TPSA269.56 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001699.90
LogP ≤ 520.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide with MolForge

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Related Compounds

3-[(2R)-butan-2-yl]oxy-1-tert-butylpyrazole;3-[(2S)-butan-2-yl]oxy-1-tert-butylpyrazole;1-tert-butyl-3-(cyclobutylmethoxy)pyrazole;1-tert-butyl-3-(cyclopropylmethoxy)pyrazole;1-tert-butyl-3-cyclopropylpyrazole;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-2-methoxy-1-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylindole;3-propan-2-ylbenzoic acid;propan-2-ylcyclopropane;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158207141
1-tert-butyl-3-cyclopropylpyrazole;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;5-methyl-3-(2-methylpropoxy)-1-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylindole;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 159035582
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385057
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385061
5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide
CID 165385139
4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
CID 165385184
4-(3-cyanophenyl)-3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
CID 165385198
4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
CID 165385207
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385220
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-5-fluoro-N-methyl-4-phenylbenzamide
CID 165385261
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385263
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide
CID 165385301

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide (CID 167536866) is N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2ccc(CF)c3cn[nH]c23)ccc1-c1cccc(F)c1.CN(Cc1c(F)ccc2cn[nH]c12)C(=O)c1cc(F)c(-c2ccccc2)c(OC2CC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(C2CCCC2)c(OC2CC2)c1.CN(Cc1cnc(C#N)c2cn[nH]c12)C(=O)c1cc(F)c(-c2ccccc2)c(OC2CC2)c1.
What is the InChIKey of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is ARCMKPBLJOGFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O2.C25H23F2N3O2.C25H20FN5O2.C24H27N3O2/c1-30(14-19-20(26)10-7-16-13-28-29-24(16)19)25(31)17-11-21(27)23(15-5-3-2-4-6-15)22(12-17)32-18-8-9-18;1-3-32-23-12-17(9-10-21(23)16-5-4-6-20(27)11-16)25(31)30(2)15-19-8-7-18(13-26)22-14-28-29-24(19)22;1-31(14-17-12-28-21(11-27)19-13-29-30-24(17)19)25(32)16-9-20(26)23(15-5-3-2-4-6-15)22(10-16)33-18-7-8-18;1-27(15-19-8-4-7-18-14-25-26-23(18)19)24(28)17-9-12-21(16-5-2-3-6-16)22(13-17)29-20-10-11-20/h2-7,10-13,18H,8-9,14H2,1H3,(H,28,29);4-12,14H,3,13,15H2,1-2H3,(H,28,29);2-6,9-10,12-13,18H,7-8,14H2,1H3,(H,29,30);4,7-9,12-14,16,20H,2-3,5-6,10-11,15H2,1H3,(H,25,26).
What are the key properties of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide has a molecular weight of 1699.90 g/mol, XLogP of 20.31, 25 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-5-fluoro-N-methyl-4-phenylbenzamide;4-cyclopentyl-3-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-cyclopropyloxy-5-fluoro-N-[(6-fluoro-1H-indazol-7-yl)methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 167536866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).