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

C74H65F9N18O5 — CID 159105124

IUPACN-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
SMILESCN(C)C(=O)c1ncc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2cn[nH]c12.CN1CCC(Cc2ccc(NC(=O)Nc3ccc(-c4cncc5[nH]ncc45)cc3)cc2C(F)(F)F)CC1.O=C(Nc1ccc(-c2cnc(C(=O)NC3CC3)c3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H27F3N6O.C24H19F3N6O2.C23H19F3N6O2/c1-36-10-8-17(9-11-36)12-19-4-7-21(13-24(19)27(28,29)30)34-26(37)33-20-5-2-18(3-6-20)22-14-31-16-25-23(22)15-32-35-25;25-24(26,27)14-2-1-3-17(10-14)32-23(35)31-16-6-4-13(5-7-16)18-11-28-21(20-19(18)12-29-33-20)22(34)30-15-8-9-15;1-32(2)21(33)20-19-18(12-28-31-19)17(11-27-20)13-6-8-15(9-7-13)29-22(34)30-16-5-3-4-14(10-16)23(24,25)26/h2-7,13-17H,8-12H2,1H3,(H,32,35)(H2,33,34,37);1-7,10-12,15H,8-9H2,(H,29,33)(H,30,34)(H2,31,32,35);3-12H,1-2H3,(H,28,31)(H2,29,30,34)
InChIKeyKDUAMUXVPKBHGM-UHFFFAOYSA-N
MW1457.44 g/mol
LogP16.34
Rot. Bonds14

About 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

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 (PubChem CID 159105124) has the molecular formula C74H65F9N18O5 and a molecular weight of 1457.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID159105124
Molecular FormulaC74H65F9N18O5
Molecular Weight1457.44 g/mol
Exact Mass1456.52
IUPAC NameN-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
SMILESCN(C)C(=O)c1ncc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2cn[nH]c12.CN1CCC(Cc2ccc(NC(=O)Nc3ccc(-c4cncc5[nH]ncc45)cc3)cc2C(F)(F)F)CC1.O=C(Nc1ccc(-c2cnc(C(=O)NC3CC3)c3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H27F3N6O.C24H19F3N6O2.C23H19F3N6O2/c1-36-10-8-17(9-11-36)12-19-4-7-21(13-24(19)27(28,29)30)34-26(37)33-20-5-2-18(3-6-20)22-14-31-16-25-23(22)15-32-35-25;25-24(26,27)14-2-1-3-17(10-14)32-23(35)31-16-6-4-13(5-7-16)18-11-28-21(20-19(18)12-29-33-20)22(34)30-15-8-9-15;1-32(2)21(33)20-19-18(12-28-31-19)17(11-27-20)13-6-8-15(9-7-13)29-22(34)30-16-5-3-4-14(10-16)23(24,25)26/h2-7,13-17H,8-12H2,1H3,(H,32,35)(H2,33,34,37);1-7,10-12,15H,8-9H2,(H,29,33)(H,30,34)(H2,31,32,35);3-12H,1-2H3,(H,28,31)(H2,29,30,34)
InChIKeyKDUAMUXVPKBHGM-UHFFFAOYSA-N
XLogP16.34
TPSA300.75 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001457.44
LogP ≤ 516.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

6-[2-[9-[6-[(6S,8R)-7-(2,2-difluoroethyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164923489
2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164923669
N-[4-[[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 177641549
N-[4-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 177642042
N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 57606789
N-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 57606841
1,3-bis(pyridin-4-ylmethyl)-6-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 69181845
3-[4-fluoro-3-[2-[4-[(Z)-N-(methylideneamino)-N-phenylcarbamohydrazonoyl]piperazin-1-yl]-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 89320320
1-[2-[2-[(5-cyclohexyl-6-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-3-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 137434829
3-[3-[2-[4-[(Z)-N-amino-N-phenylcarbamohydrazonoyl]piperazin-1-yl]-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 143573208
5-(5-fluoro-3-pyridinyl)-1-[1-[[5-[(5-pyridin-3-yl-1H-indazole-3-carbonyl)amino]-2-pyridinyl]methyl]pyrrolidin-3-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-3-carboxamide
CID 144555306
3-[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxamide
CID 146559791

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)c1ncc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2cn[nH]c12.CN1CCC(Cc2ccc(NC(=O)Nc3ccc(-c4cncc5[nH]ncc45)cc3)cc2C(F)(F)F)CC1.O=C(Nc1ccc(-c2cnc(C(=O)NC3CC3)c3[nH]ncc23)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 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?
The InChIKey is KDUAMUXVPKBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O.C24H19F3N6O2.C23H19F3N6O2/c1-36-10-8-17(9-11-36)12-19-4-7-21(13-24(19)27(28,29)30)34-26(37)33-20-5-2-18(3-6-20)22-14-31-16-25-23(22)15-32-35-25;25-24(26,27)14-2-1-3-17(10-14)32-23(35)31-16-6-4-13(5-7-16)18-11-28-21(20-19(18)12-29-33-20)22(34)30-15-8-9-15;1-32(2)21(33)20-19-18(12-28-31-19)17(11-27-20)13-6-8-15(9-7-13)29-22(34)30-16-5-3-4-14(10-16)23(24,25)26/h2-7,13-17H,8-12H2,1H3,(H,32,35)(H2,33,34,37);1-7,10-12,15H,8-9H2,(H,29,33)(H,30,34)(H2,31,32,35);3-12H,1-2H3,(H,28,31)(H2,29,30,34).
What are the key properties of 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?
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 has a molecular weight of 1457.44 g/mol, XLogP of 16.34, 14 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159105124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).