N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C70H56F9N17O9 — CID 160574353

IUPACN-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cnc(C(=O)O)c21.O=C(Nc1ccc(-c2cnc(C(=O)N3CCOCC3)c3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1ccc(-c2cnc(C(=O)NCCO)c3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H21F3N6O3.C23H19F3N6O3.C22H16F3N5O3/c26-25(27,28)16-2-1-3-18(12-16)32-24(36)31-17-6-4-15(5-7-17)19-13-29-22(21-20(19)14-30-33-21)23(35)34-8-10-37-11-9-34;24-23(25,26)14-2-1-3-16(10-14)31-22(35)30-15-6-4-13(5-7-15)17-11-28-20(21(34)27-8-9-33)19-18(17)12-29-32-19;1-30-19-17(11-27-30)16(10-26-18(19)20(31)32)12-5-7-14(8-6-12)28-21(33)29-15-4-2-3-13(9-15)22(23,24)25/h1-7,12-14H,8-11H2,(H,30,33)(H2,31,32,36);1-7,10-12,33H,8-9H2,(H,27,34)(H,29,32)(H2,30,31,35);2-11H,1H3,(H,31,32)(H2,28,29,33)
InChIKeyRAYLGYUYKUKXKO-UHFFFAOYSA-N
MW1450.31 g/mol
LogP13.77
Rot. Bonds14

About N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 160574353) has the molecular formula C70H56F9N17O9 and a molecular weight of 1450.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID160574353
Molecular FormulaC70H56F9N17O9
Molecular Weight1450.31 g/mol
Exact Mass1449.43
IUPAC NameN-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cnc(C(=O)O)c21.O=C(Nc1ccc(-c2cnc(C(=O)N3CCOCC3)c3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1ccc(-c2cnc(C(=O)NCCO)c3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H21F3N6O3.C23H19F3N6O3.C22H16F3N5O3/c26-25(27,28)16-2-1-3-18(12-16)32-24(36)31-17-6-4-15(5-7-17)19-13-29-22(21-20(19)14-30-33-21)23(35)34-8-10-37-11-9-34;24-23(25,26)14-2-1-3-16(10-14)31-22(35)30-15-6-4-13(5-7-15)17-11-28-20(21(34)27-8-9-33)19-18(17)12-29-32-19;1-30-19-17(11-27-30)16(10-26-18(19)20(31)32)12-5-7-14(8-6-12)28-21(33)29-15-4-2-3-13(9-15)22(23,24)25/h1-7,12-14H,8-11H2,(H,30,33)(H2,31,32,36);1-7,10-12,33H,8-9H2,(H,27,34)(H,29,32)(H2,30,31,35);2-11H,1H3,(H,31,32)(H2,28,29,33)
InChIKeyRAYLGYUYKUKXKO-UHFFFAOYSA-N
XLogP13.77
TPSA353.41 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001450.31
LogP ≤ 513.77
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

Analyze N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155449287
N-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
CID 159105124
1-[2-Fluoro-4-[1-methyl-5-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[1-methyl-5-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-4-yl]phenyl]urea;4-[[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]carbamoylamino]-2-(trifluoromethyl)benzoic acid
CID 159585517
1-[4-(1-Benzylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-5-(morpholin-4-ylmethyl)pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxamide
CID 160752692
9-[4-[[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]piperidine-1-carbonyl]pyrido[3,4-b]indole-1-carboxylic acid
CID 171811655
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;methane
CID 158614236
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylic acid;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone
CID 159506571
ethyl 6-[4-(pyrazine-2-carbonylamino)phenyl]-1H-indazole-3-carboxylate;1-ethyl-6-[4-(pyrazine-2-carbonylamino)phenyl]indazole-3-carboxylic acid
CID 160397482
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide;3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid
CID 161469583

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 160574353) is N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cnc(C(=O)O)c21.O=C(Nc1ccc(-c2cnc(C(=O)N3CCOCC3)c3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1.O=C(Nc1ccc(-c2cnc(C(=O)NCCO)c3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is RAYLGYUYKUKXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O3.C23H19F3N6O3.C22H16F3N5O3/c26-25(27,28)16-2-1-3-18(12-16)32-24(36)31-17-6-4-15(5-7-17)19-13-29-22(21-20(19)14-30-33-21)23(35)34-8-10-37-11-9-34;24-23(25,26)14-2-1-3-16(10-14)31-22(35)30-15-6-4-13(5-7-15)17-11-28-20(21(34)27-8-9-33)19-18(17)12-29-32-19;1-30-19-17(11-27-30)16(10-26-18(19)20(31)32)12-5-7-14(8-6-12)28-21(33)29-15-4-2-3-13(9-15)22(23,24)25/h1-7,12-14H,8-11H2,(H,30,33)(H2,31,32,36);1-7,10-12,33H,8-9H2,(H,27,34)(H,29,32)(H2,30,31,35);2-11H,1H3,(H,31,32)(H2,28,29,33).
What are the key properties of N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 1450.31 g/mol, XLogP of 13.77, 14 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-c]pyridine-7-carboxamide;1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-c]pyridine-7-carboxylic acid;1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 160574353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).