N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C109H111Cl5N20O5 — CID 159011231

IUPACN-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)nn3C3CCN(Cc4ccccc4)CC3)c2Cl)cc1.Cc1nn(C2CCN(C)CC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C2CCN(Cc3ccccc3)CC2)c2ncc(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)c(Cl)c12.Cc1nn(C2CCN(Cc3ccccc3)CC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12
InChIInChI=1S/C33H30ClN5O2.C29H32ClN5O.C27H28ClN5O.C20H21Cl2N5O/c1-22-29-30(34)28(33(41)36-26-14-12-25(13-15-26)31(40)24-10-6-3-7-11-24)20-35-32(29)39(37-22)27-16-18-38(19-17-27)21-23-8-4-2-5-9-23;1-19(2)22-9-11-23(12-10-22)32-29(36)25-17-31-28-26(27(25)30)20(3)33-35(28)24-13-15-34(16-14-24)18-21-7-5-4-6-8-21;1-18-8-10-21(11-9-18)30-27(34)23-16-29-26-24(25(23)28)19(2)31-33(26)22-12-14-32(15-13-22)17-20-6-4-3-5-7-20;1-12-17-18(22)16(20(28)24-14-5-3-13(21)4-6-14)11-23-19(17)27(25-12)15-7-9-26(2)10-8-15/h2-15,20,27H,16-19,21H2,1H3,(H,36,41);4-12,17,19,24H,13-16,18H2,1-3H3,(H,32,36);3-11,16,22H,12-15,17H2,1-2H3,(H,30,34);3-6,11,15H,7-10H2,1-2H3,(H,24,28)
InChIKeyJSMYXBAELIFFER-UHFFFAOYSA-N
MW1958.49 g/mol
LogP23.68
Rot. Bonds21

About N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 159011231) has the molecular formula C109H111Cl5N20O5 and a molecular weight of 1958.49 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID159011231
Molecular FormulaC109H111Cl5N20O5
Molecular Weight1958.49 g/mol
Exact Mass1954.75
IUPAC NameN-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)nn3C3CCN(Cc4ccccc4)CC3)c2Cl)cc1.Cc1nn(C2CCN(C)CC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C2CCN(Cc3ccccc3)CC2)c2ncc(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)c(Cl)c12.Cc1nn(C2CCN(Cc3ccccc3)CC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12
InChIInChI=1S/C33H30ClN5O2.C29H32ClN5O.C27H28ClN5O.C20H21Cl2N5O/c1-22-29-30(34)28(33(41)36-26-14-12-25(13-15-26)31(40)24-10-6-3-7-11-24)20-35-32(29)39(37-22)27-16-18-38(19-17-27)21-23-8-4-2-5-9-23;1-19(2)22-9-11-23(12-10-22)32-29(36)25-17-31-28-26(27(25)30)20(3)33-35(28)24-13-15-34(16-14-24)18-21-7-5-4-6-8-21;1-18-8-10-21(11-9-18)30-27(34)23-16-29-26-24(25(23)28)19(2)31-33(26)22-12-14-32(15-13-22)17-20-6-4-3-5-7-20;1-12-17-18(22)16(20(28)24-14-5-3-13(21)4-6-14)11-23-19(17)27(25-12)15-7-9-26(2)10-8-15/h2-15,20,27H,16-19,21H2,1H3,(H,36,41);4-12,17,19,24H,13-16,18H2,1-3H3,(H,32,36);3-11,16,22H,12-15,17H2,1-2H3,(H,30,34);3-6,11,15H,7-10H2,1-2H3,(H,24,28)
InChIKeyJSMYXBAELIFFER-UHFFFAOYSA-N
XLogP23.68
TPSA269.27 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.49
LogP ≤ 523.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 159011231) is N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccc(NC(=O)c2cnc3c(c(C)nn3C3CCN(Cc4ccccc4)CC3)c2Cl)cc1.Cc1nn(C2CCN(C)CC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C2CCN(Cc3ccccc3)CC2)c2ncc(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)c(Cl)c12.Cc1nn(C2CCN(Cc3ccccc3)CC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12.
What is the InChIKey of N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JSMYXBAELIFFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30ClN5O2.C29H32ClN5O.C27H28ClN5O.C20H21Cl2N5O/c1-22-29-30(34)28(33(41)36-26-14-12-25(13-15-26)31(40)24-10-6-3-7-11-24)20-35-32(29)39(37-22)27-16-18-38(19-17-27)21-23-8-4-2-5-9-23;1-19(2)22-9-11-23(12-10-22)32-29(36)25-17-31-28-26(27(25)30)20(3)33-35(28)24-13-15-34(16-14-24)18-21-7-5-4-6-8-21;1-18-8-10-21(11-9-18)30-27(34)23-16-29-26-24(25(23)28)19(2)31-33(26)22-12-14-32(15-13-22)17-20-6-4-3-5-7-20;1-12-17-18(22)16(20(28)24-14-5-3-13(21)4-6-14)11-23-19(17)27(25-12)15-7-9-26(2)10-8-15/h2-15,20,27H,16-19,21H2,1H3,(H,36,41);4-12,17,19,24H,13-16,18H2,1-3H3,(H,32,36);3-11,16,22H,12-15,17H2,1-2H3,(H,30,34);3-6,11,15H,7-10H2,1-2H3,(H,24,28).
What are the key properties of N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 1958.49 g/mol, XLogP of 23.68, 21 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-1-(1-benzylpiperidin-4-yl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 159011231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).