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

C75H62F9N17O5 — CID 160752692

IUPAC1-[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
SMILESCn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c(CN3CCOCC3)ncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cnc(C(N)=O)c21.O=C(Nc1ccc(-c2cncc3c2cnn3Cc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H20F3N5O.C26H25F3N6O2.C22H17F3N6O2/c28-27(29,30)20-7-4-8-22(13-20)34-26(36)33-21-11-9-19(10-12-21)23-14-31-16-25-24(23)15-32-35(25)17-18-5-2-1-3-6-18;1-34-23-15-30-22(16-35-9-11-37-12-10-35)24(21(23)14-31-34)17-5-7-19(8-6-17)32-25(36)33-20-4-2-3-18(13-20)26(27,28)29;1-31-19-17(11-28-31)16(10-27-18(19)20(26)32)12-5-7-14(8-6-12)29-21(33)30-15-4-2-3-13(9-15)22(23,24)25/h1-16H,17H2,(H2,33,34,36);2-8,13-15H,9-12,16H2,1H3,(H2,32,33,36);2-11H,1H3,(H2,26,32)(H2,29,30,33)
InChIKeyRXALXPQJRSMQPE-UHFFFAOYSA-N
MW1452.42 g/mol
LogP16.34
Rot. Bonds14

About 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

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 (PubChem CID 160752692) has the molecular formula C75H62F9N17O5 and a molecular weight of 1452.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID160752692
Molecular FormulaC75H62F9N17O5
Molecular Weight1452.42 g/mol
Exact Mass1451.50
IUPAC Name1-[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
SMILESCn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c(CN3CCOCC3)ncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cnc(C(N)=O)c21.O=C(Nc1ccc(-c2cncc3c2cnn3Cc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H20F3N5O.C26H25F3N6O2.C22H17F3N6O2/c28-27(29,30)20-7-4-8-22(13-20)34-26(36)33-21-11-9-19(10-12-21)23-14-31-16-25-24(23)15-32-35(25)17-18-5-2-1-3-6-18;1-34-23-15-30-22(16-35-9-11-37-12-10-35)24(21(23)14-31-34)17-5-7-19(8-6-17)32-25(36)33-20-4-2-3-18(13-20)26(27,28)29;1-31-19-17(11-28-31)16(10-27-18(19)20(26)32)12-5-7-14(8-6-12)29-21(33)30-15-4-2-3-13(9-15)22(23,24)25/h1-16H,17H2,(H2,33,34,36);2-8,13-15H,9-12,16H2,1H3,(H2,32,33,36);2-11H,1H3,(H2,26,32)(H2,29,30,33)
InChIKeyRXALXPQJRSMQPE-UHFFFAOYSA-N
XLogP16.34
TPSA271.08 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001452.42
LogP ≤ 516.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

1-[4-fluoro-7-[5-[4-(2-morpholinoethyl)piperazine-1-carbonyl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
CID 49770122
3-[4-fluoro-3-[2-oxo-2-[4-(3-phenyl-1H-pyrazol-4-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 49770169
1-[4-[7-(morpholine-4-carbonyl)-1H-pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 57606825
1-Methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[3,4-c]pyridine-7-carboxamide
CID 57606842
4-[3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide
CID 70651694
3-[4-fluoro-3-[2-oxo-2-[4-(3-phenylpyrazol-1-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide
CID 89763243
1-[4-[4-Amino-6-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazin-5-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 89776513
1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 148579931
4-[4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]piperidine-1-carboxamide
CID 155178216
N-[2-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155449305
N-[6-(difluoromethyl)-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
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N-[2-[4-[[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidin-1-yl]methyl]cyclohexyl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155449580

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c(CN3CCOCC3)ncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cnc(C(N)=O)c21.O=C(Nc1ccc(-c2cncc3c2cnn3Cc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 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?
The InChIKey is RXALXPQJRSMQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N5O.C26H25F3N6O2.C22H17F3N6O2/c28-27(29,30)20-7-4-8-22(13-20)34-26(36)33-21-11-9-19(10-12-21)23-14-31-16-25-24(23)15-32-35(25)17-18-5-2-1-3-6-18;1-34-23-15-30-22(16-35-9-11-37-12-10-35)24(21(23)14-31-34)17-5-7-19(8-6-17)32-25(36)33-20-4-2-3-18(13-20)26(27,28)29;1-31-19-17(11-28-31)16(10-27-18(19)20(26)32)12-5-7-14(8-6-12)29-21(33)30-15-4-2-3-13(9-15)22(23,24)25/h1-16H,17H2,(H2,33,34,36);2-8,13-15H,9-12,16H2,1H3,(H2,32,33,36);2-11H,1H3,(H2,26,32)(H2,29,30,33).
What are the key properties of 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?
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 has a molecular weight of 1452.42 g/mol, XLogP of 16.34, 14 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160752692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).