1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea

C88H95F9N22O4 — CID 157479096

IUPAC1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea
SMILESCCN(CC)Cc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(-c2cc(C3CC3)nc3c2c(N)nn3C)cc1.CN1CCN(Cc2ccc(C(F)(F)F)cc2NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)CC1.Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4CN4CCOCC4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C30H33F3N8O.C29H30F3N7O2.C29H32F3N7O/c1-39-11-13-41(14-12-39)17-20-5-8-21(30(31,32)33)15-24(20)37-29(42)35-22-9-6-18(7-10-22)23-16-25(19-3-4-19)36-28-26(23)27(34)38-40(28)2;1-38-27-25(26(33)37-38)22(15-24(35-27)18-2-3-18)17-5-8-21(9-6-17)34-28(40)36-23-14-20(29(30,31)32)7-4-19(23)16-39-10-12-41-13-11-39;1-4-39(5-2)16-19-8-11-20(29(30,31)32)14-23(19)36-28(40)34-21-12-9-17(10-13-21)22-15-24(18-6-7-18)35-27-25(22)26(33)37-38(27)3/h5-10,15-16,19H,3-4,11-14,17H2,1-2H3,(H2,34,38)(H2,35,37,42);4-9,14-15,18H,2-3,10-13,16H2,1H3,(H2,33,37)(H2,34,36,40);8-15,18H,4-7,16H2,1-3H3,(H2,33,37)(H2,34,36,40)
InChIKeyBVYGRMCGNONALR-UHFFFAOYSA-N
MW1695.86 g/mol
LogP17.69
Rot. Bonds20

About 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea

1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea (PubChem CID 157479096) has the molecular formula C88H95F9N22O4 and a molecular weight of 1695.86 g/mol. Its IUPAC name is 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea
PubChem CID157479096
Molecular FormulaC88H95F9N22O4
Molecular Weight1695.86 g/mol
Exact Mass1694.78
IUPAC Name1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea
SMILESCCN(CC)Cc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(-c2cc(C3CC3)nc3c2c(N)nn3C)cc1.CN1CCN(Cc2ccc(C(F)(F)F)cc2NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)CC1.Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4CN4CCOCC4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C30H33F3N8O.C29H30F3N7O2.C29H32F3N7O/c1-39-11-13-41(14-12-39)17-20-5-8-21(30(31,32)33)15-24(20)37-29(42)35-22-9-6-18(7-10-22)23-16-25(19-3-4-19)36-28-26(23)27(34)38-40(28)2;1-38-27-25(26(33)37-38)22(15-24(35-27)18-2-3-18)17-5-8-21(9-6-17)34-28(40)36-23-14-20(29(30,31)32)7-4-19(23)16-39-10-12-41-13-11-39;1-4-39(5-2)16-19-8-11-20(29(30,31)32)14-23(19)36-28(40)34-21-12-9-17(10-13-21)22-15-24(18-6-7-18)35-27-25(22)26(33)37-38(27)3/h5-10,15-16,19H,3-4,11-14,17H2,1-2H3,(H2,34,38)(H2,35,37,42);4-9,14-15,18H,2-3,10-13,16H2,1H3,(H2,33,37)(H2,34,36,40);8-15,18H,4-7,16H2,1-3H3,(H2,33,37)(H2,34,36,40)
InChIKeyBVYGRMCGNONALR-UHFFFAOYSA-N
XLogP17.69
TPSA315.77 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001695.86
LogP ≤ 517.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-[4-[3-Amino-6-cyclopropyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 57545715
1-[4-(3-Amino-6-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]urea
CID 57545727
1-[4-(3-Amino-6-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea
CID 57545746
1-[4-(3-Amino-6-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea
CID 57545754
1-[4-[3-Amino-1-methyl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 57545758
1-[4-(3-Amino-6-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea
CID 57545765
1-[4-[3-Amino-6-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 57545773
1-[4-[3-Amino-1-(3-morpholin-4-ylpropyl)-6-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 59592703
1-{4-[3-Amino-6-isopropyl-1-(2-morpholin-4-yl-ethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-phenyl}-3-(3-trifluoromethyl-phenyl)-urea
CID 59592735
1-[4-(3-Amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;2-morpholin-4-ylethylcarbamic acid
CID 89999778
1-[4-[6-Cyclopropyl-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 143593517
N-[4-(3-amino-6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 157193252

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea (CID 157479096) is 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea is CCN(CC)Cc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(-c2cc(C3CC3)nc3c2c(N)nn3C)cc1.CN1CCN(Cc2ccc(C(F)(F)F)cc2NC(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)CC1.Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4CN4CCOCC4)cc3)cc(C3CC3)nc21.
What is the InChIKey of 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea?
The InChIKey is BVYGRMCGNONALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N8O.C29H30F3N7O2.C29H32F3N7O/c1-39-11-13-41(14-12-39)17-20-5-8-21(30(31,32)33)15-24(20)37-29(42)35-22-9-6-18(7-10-22)23-16-25(19-3-4-19)36-28-26(23)27(34)38-40(28)2;1-38-27-25(26(33)37-38)22(15-24(35-27)18-2-3-18)17-5-8-21(9-6-17)34-28(40)36-23-14-20(29(30,31)32)7-4-19(23)16-39-10-12-41-13-11-39;1-4-39(5-2)16-19-8-11-20(29(30,31)32)14-23(19)36-28(40)34-21-12-9-17(10-13-21)22-15-24(18-6-7-18)35-27-25(22)26(33)37-38(27)3/h5-10,15-16,19H,3-4,11-14,17H2,1-2H3,(H2,34,38)(H2,35,37,42);4-9,14-15,18H,2-3,10-13,16H2,1H3,(H2,33,37)(H2,34,36,40);8-15,18H,4-7,16H2,1-3H3,(H2,33,37)(H2,34,36,40).
What are the key properties of 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea?
1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea has a molecular weight of 1695.86 g/mol, XLogP of 17.69, 20 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 157479096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).