N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C110H105F3N24O10S — CID 157440170

IUPACN-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCSCCC(CO)NC(=O)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NC1CC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.O=C(NC1CC2CCC1CC2)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NC1CCC(O)CC1)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NCC1CCCO1)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.O=C(NCc1ccco1)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1
InChIInChI=1S/C21H22N4O.C19H20N4O2.C18H17FN4O2.C18H13FN4O2.C18H20N4O2S.C16H13FN4O/c26-21(23-18-10-13-6-8-14(18)9-7-13)16-11-17-19(15-4-2-1-3-5-15)24-25-20(17)22-12-16;24-15-8-6-14(7-9-15)21-19(25)13-10-16-17(12-4-2-1-3-5-12)22-23-18(16)20-11-13;2*19-12-4-1-3-11(9-12)16-17-14(22-23-16)6-7-15(21-17)18(24)20-10-13-5-2-8-25-13;1-25-8-7-14(11-23)20-18(24)13-9-15-16(12-5-3-2-4-6-12)21-22-17(15)19-10-13;17-10-3-1-2-9(8-10)14-15-12(20-21-14)6-7-13(19-15)16(22)18-11-4-5-11/h1-5,11-14,18H,6-10H2,(H,23,26)(H,22,24,25);1-5,10-11,14-15,24H,6-9H2,(H,21,25)(H,20,22,23);1,3-4,6-7,9,13H,2,5,8,10H2,(H,20,24)(H,22,23);1-9H,10H2,(H,20,24)(H,22,23);2-6,9-10,14,23H,7-8,11H2,1H3,(H,20,24)(H,19,21,22);1-3,6-8,11H,4-5H2,(H,18,22)(H,20,21)
InChIKeyBROSBFWORAUMAR-UHFFFAOYSA-N
MW2012.27 g/mol
LogP17.68
Rot. Bonds24

About N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 157440170) has the molecular formula C110H105F3N24O10S and a molecular weight of 2012.27 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID157440170
Molecular FormulaC110H105F3N24O10S
Molecular Weight2012.27 g/mol
Exact Mass2010.81
IUPAC NameN-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCSCCC(CO)NC(=O)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NC1CC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.O=C(NC1CC2CCC1CC2)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NC1CCC(O)CC1)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NCC1CCCO1)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.O=C(NCc1ccco1)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1
InChIInChI=1S/C21H22N4O.C19H20N4O2.C18H17FN4O2.C18H13FN4O2.C18H20N4O2S.C16H13FN4O/c26-21(23-18-10-13-6-8-14(18)9-7-13)16-11-17-19(15-4-2-1-3-5-15)24-25-20(17)22-12-16;24-15-8-6-14(7-9-15)21-19(25)13-10-16-17(12-4-2-1-3-5-12)22-23-18(16)20-11-13;2*19-12-4-1-3-11(9-12)16-17-14(22-23-16)6-7-15(21-17)18(24)20-10-13-5-2-8-25-13;1-25-8-7-14(11-23)20-18(24)13-9-15-16(12-5-3-2-4-6-12)21-22-17(15)19-10-13;17-10-3-1-2-9(8-10)14-15-12(20-21-14)6-7-13(19-15)16(22)18-11-4-5-11/h1-5,11-14,18H,6-10H2,(H,23,26)(H,22,24,25);1-5,10-11,14-15,24H,6-9H2,(H,21,25)(H,20,22,23);1,3-4,6-7,9,13H,2,5,8,10H2,(H,20,24)(H,22,23);1-9H,10H2,(H,20,24)(H,22,23);2-6,9-10,14,23H,7-8,11H2,1H3,(H,20,24)(H,19,21,22);1-3,6-8,11H,4-5H2,(H,18,22)(H,20,21)
InChIKeyBROSBFWORAUMAR-UHFFFAOYSA-N
XLogP17.68
TPSA486.85 Ų
H-Bond Donors14
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002012.27
LogP ≤ 517.68
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1023

Analyze N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 157440170) is N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is CSCCC(CO)NC(=O)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NC1CC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.O=C(NC1CC2CCC1CC2)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NC1CCC(O)CC1)c1cnc2n[nH]c(-c3ccccc3)c2c1.O=C(NCC1CCCO1)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.O=C(NCc1ccco1)c1ccc2[nH]nc(-c3cccc(F)c3)c2n1.
What is the InChIKey of N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is BROSBFWORAUMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O.C19H20N4O2.C18H17FN4O2.C18H13FN4O2.C18H20N4O2S.C16H13FN4O/c26-21(23-18-10-13-6-8-14(18)9-7-13)16-11-17-19(15-4-2-1-3-5-15)24-25-20(17)22-12-16;24-15-8-6-14(7-9-15)21-19(25)13-10-16-17(12-4-2-1-3-5-12)22-23-18(16)20-11-13;2*19-12-4-1-3-11(9-12)16-17-14(22-23-16)6-7-15(21-17)18(24)20-10-13-5-2-8-25-13;1-25-8-7-14(11-23)20-18(24)13-9-15-16(12-5-3-2-4-6-12)21-22-17(15)19-10-13;17-10-3-1-2-9(8-10)14-15-12(20-21-14)6-7-13(19-15)16(22)18-11-4-5-11/h1-5,11-14,18H,6-10H2,(H,23,26)(H,22,24,25);1-5,10-11,14-15,24H,6-9H2,(H,21,25)(H,20,22,23);1,3-4,6-7,9,13H,2,5,8,10H2,(H,20,24)(H,22,23);1-9H,10H2,(H,20,24)(H,22,23);2-6,9-10,14,23H,7-8,11H2,1H3,(H,20,24)(H,19,21,22);1-3,6-8,11H,4-5H2,(H,18,22)(H,20,21).
What are the key properties of N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 2012.27 g/mol, XLogP of 17.68, 24 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.2]octanyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxamide;N-(4-hydroxycyclohexyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 157440170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).