4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C50H61F5N10O3 — CID 87790912

IUPAC4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCC(NC(=O)c1cnc2c(cnn2CC)c1NC1CCCCC1)c1ccc(C(F)(F)F)cc1.CCC(NC(=O)c1cnc2c(cnn2CC)c1NC1CCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C25H30F3N5O.C25H31F2N5O2/c1-3-21(16-10-12-17(13-11-16)25(26,27)28)32-24(34)20-14-29-23-19(15-30-33(23)4-2)22(20)31-18-8-6-5-7-9-18;1-3-21(16-10-12-18(13-11-16)34-25(26)27)31-24(33)20-14-28-23-19(15-29-32(23)4-2)22(20)30-17-8-6-5-7-9-17/h10-15,18,21H,3-9H2,1-2H3,(H,29,31)(H,32,34);10-15,17,21,25H,3-9H2,1-2H3,(H,28,30)(H,31,33)
InChIKeyXUTZYCXMKOQEQD-UHFFFAOYSA-N
MW945.09 g/mol
LogP11.77
Rot. Bonds16

About 4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 87790912) has the molecular formula C50H61F5N10O3 and a molecular weight of 945.09 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID87790912
Molecular FormulaC50H61F5N10O3
Molecular Weight945.09 g/mol
Exact Mass944.48
IUPAC Name4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCC(NC(=O)c1cnc2c(cnn2CC)c1NC1CCCCC1)c1ccc(C(F)(F)F)cc1.CCC(NC(=O)c1cnc2c(cnn2CC)c1NC1CCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C25H30F3N5O.C25H31F2N5O2/c1-3-21(16-10-12-17(13-11-16)25(26,27)28)32-24(34)20-14-29-23-19(15-30-33(23)4-2)22(20)31-18-8-6-5-7-9-18;1-3-21(16-10-12-18(13-11-16)34-25(26)27)31-24(33)20-14-28-23-19(15-29-32(23)4-2)22(20)30-17-8-6-5-7-9-17/h10-15,18,21H,3-9H2,1-2H3,(H,29,31)(H,32,34);10-15,17,21,25H,3-9H2,1-2H3,(H,28,30)(H,31,33)
InChIKeyXUTZYCXMKOQEQD-UHFFFAOYSA-N
XLogP11.77
TPSA152.91 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500945.09
LogP ≤ 511.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 87790912) is 4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CCC(NC(=O)c1cnc2c(cnn2CC)c1NC1CCCCC1)c1ccc(C(F)(F)F)cc1.CCC(NC(=O)c1cnc2c(cnn2CC)c1NC1CCCCC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XUTZYCXMKOQEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O.C25H31F2N5O2/c1-3-21(16-10-12-17(13-11-16)25(26,27)28)32-24(34)20-14-29-23-19(15-30-33(23)4-2)22(20)31-18-8-6-5-7-9-18;1-3-21(16-10-12-18(13-11-16)34-25(26)27)31-24(33)20-14-28-23-19(15-29-32(23)4-2)22(20)30-17-8-6-5-7-9-17/h10-15,18,21H,3-9H2,1-2H3,(H,29,31)(H,32,34);10-15,17,21,25H,3-9H2,1-2H3,(H,28,30)(H,31,33).
What are the key properties of 4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 945.09 g/mol, XLogP of 11.77, 16 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-[1-[4-(difluoromethoxy)phenyl]propyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 87790912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).