N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C111H101F12N21O5 — CID 162016367

IUPACN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1(c2cc(-c3ccc(NC(=O)C4(c5cccc(C(F)(F)F)c5)CC4)cc3)c3c(N)nn(C)c3n2)CC1.Cc1ccc(F)c(C2(C(=O)Nc3ccc(-c4cc(C5CC5)nc5c4c(N)nn5C)cc3)CC2)c1.Cn1nc(N)c2c(-c3ccc(NC(=O)C4(c5cc(C(F)(F)F)ccc5F)CC4)cc3)cc(C3CC3)nc21.Cn1nc(N)c2c(-c3ccc(NC(=O)C4(c5cccc(C(F)(F)F)c5)CC4)c(F)c3)cc(C3CC3)nc21
InChIInChI=1S/C30H29F3N6O2.2C27H23F4N5O.C27H26FN5O/c1-38(2)27(41)29(13-14-29)22-16-21(23-24(34)37-39(3)25(23)36-22)17-7-9-20(10-8-17)35-26(40)28(11-12-28)18-5-4-6-19(15-18)30(31,32)33;1-36-24-22(23(32)35-36)18(13-21(34-24)15-2-3-15)14-4-7-17(8-5-14)33-25(37)26(10-11-26)19-12-16(27(29,30)31)6-9-20(19)28;1-36-24-22(23(32)35-36)18(13-21(33-24)14-5-6-14)15-7-8-20(19(28)11-15)34-25(37)26(9-10-26)16-3-2-4-17(12-16)27(29,30)31;1-15-3-10-21(28)20(13-15)27(11-12-27)26(34)30-18-8-6-16(7-9-18)19-14-22(17-4-5-17)31-25-23(19)24(29)32-33(25)2/h4-10,15-16H,11-14H2,1-3H3,(H2,34,37)(H,35,40);4-9,12-13,15H,2-3,10-11H2,1H3,(H2,32,35)(H,33,37);2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,32,35)(H,34,37);3,6-10,13-14,17H,4-5,11-12H2,1-2H3,(H2,29,32)(H,30,34)
InChIKeyYUDUIWYIXDJBNO-UHFFFAOYSA-N
MW2037.15 g/mol
LogP22.09
Rot. Bonds21

About N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 162016367) has the molecular formula C111H101F12N21O5 and a molecular weight of 2037.15 g/mol. Its IUPAC name is N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID162016367
Molecular FormulaC111H101F12N21O5
Molecular Weight2037.15 g/mol
Exact Mass2035.81
IUPAC NameN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1(c2cc(-c3ccc(NC(=O)C4(c5cccc(C(F)(F)F)c5)CC4)cc3)c3c(N)nn(C)c3n2)CC1.Cc1ccc(F)c(C2(C(=O)Nc3ccc(-c4cc(C5CC5)nc5c4c(N)nn5C)cc3)CC2)c1.Cn1nc(N)c2c(-c3ccc(NC(=O)C4(c5cc(C(F)(F)F)ccc5F)CC4)cc3)cc(C3CC3)nc21.Cn1nc(N)c2c(-c3ccc(NC(=O)C4(c5cccc(C(F)(F)F)c5)CC4)c(F)c3)cc(C3CC3)nc21
InChIInChI=1S/C30H29F3N6O2.2C27H23F4N5O.C27H26FN5O/c1-38(2)27(41)29(13-14-29)22-16-21(23-24(34)37-39(3)25(23)36-22)17-7-9-20(10-8-17)35-26(40)28(11-12-28)18-5-4-6-19(15-18)30(31,32)33;1-36-24-22(23(32)35-36)18(13-21(34-24)15-2-3-15)14-4-7-17(8-5-14)33-25(37)26(10-11-26)19-12-16(27(29,30)31)6-9-20(19)28;1-36-24-22(23(32)35-36)18(13-21(33-24)14-5-6-14)15-7-8-20(19(28)11-15)34-25(37)26(9-10-26)16-3-2-4-17(12-16)27(29,30)31;1-15-3-10-21(28)20(13-15)27(11-12-27)26(34)30-18-8-6-16(7-9-18)19-14-22(17-4-5-17)31-25-23(19)24(29)32-33(25)2/h4-10,15-16H,11-14H2,1-3H3,(H2,34,37)(H,35,40);4-9,12-13,15H,2-3,10-11H2,1H3,(H2,32,35)(H,33,37);2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,32,35)(H,34,37);3,6-10,13-14,17H,4-5,11-12H2,1-2H3,(H2,29,32)(H,30,34)
InChIKeyYUDUIWYIXDJBNO-UHFFFAOYSA-N
XLogP22.09
TPSA363.63 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms149
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002037.15
LogP ≤ 522.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 162016367) is N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CN(C)C(=O)C1(c2cc(-c3ccc(NC(=O)C4(c5cccc(C(F)(F)F)c5)CC4)cc3)c3c(N)nn(C)c3n2)CC1.Cc1ccc(F)c(C2(C(=O)Nc3ccc(-c4cc(C5CC5)nc5c4c(N)nn5C)cc3)CC2)c1.Cn1nc(N)c2c(-c3ccc(NC(=O)C4(c5cc(C(F)(F)F)ccc5F)CC4)cc3)cc(C3CC3)nc21.Cn1nc(N)c2c(-c3ccc(NC(=O)C4(c5cccc(C(F)(F)F)c5)CC4)c(F)c3)cc(C3CC3)nc21.
What is the InChIKey of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is YUDUIWYIXDJBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N6O2.2C27H23F4N5O.C27H26FN5O/c1-38(2)27(41)29(13-14-29)22-16-21(23-24(34)37-39(3)25(23)36-22)17-7-9-20(10-8-17)35-26(40)28(11-12-28)18-5-4-6-19(15-18)30(31,32)33;1-36-24-22(23(32)35-36)18(13-21(34-24)15-2-3-15)14-4-7-17(8-5-14)33-25(37)26(10-11-26)19-12-16(27(29,30)31)6-9-20(19)28;1-36-24-22(23(32)35-36)18(13-21(33-24)14-5-6-14)15-7-8-20(19(28)11-15)34-25(37)26(9-10-26)16-3-2-4-17(12-16)27(29,30)31;1-15-3-10-21(28)20(13-15)27(11-12-27)26(34)30-18-8-6-16(7-9-18)19-14-22(17-4-5-17)31-25-23(19)24(29)32-33(25)2/h4-10,15-16H,11-14H2,1-3H3,(H2,34,37)(H,35,40);4-9,12-13,15H,2-3,10-11H2,1H3,(H2,32,35)(H,33,37);2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,32,35)(H,34,37);3,6-10,13-14,17H,4-5,11-12H2,1-2H3,(H2,29,32)(H,30,34).
What are the key properties of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 2037.15 g/mol, XLogP of 22.09, 21 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-2-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-[3-amino-6-[1-(dimethylcarbamoyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 162016367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).