N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide

C67H71N13O6S — CID 162233832

IUPACN-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCC2)c2cc(-c3ccoc3)cnc21.Cn1nc(C(=O)NC2CCN(CC3CCCCC3)CC2)c2ccc(OCc3ccccc3-c3ccccc3)nc21.Cn1nc(C(=O)NCc2cccs2)c2cc(-c3ccoc3)cnc21
InChIInChI=1S/C33H39N5O2.C17H14N4O2S.C17H18N4O2/c1-37-32-29(16-17-30(35-32)40-23-26-14-8-9-15-28(26)25-12-6-3-7-13-25)31(36-37)33(39)34-27-18-20-38(21-19-27)22-24-10-4-2-5-11-24;1-21-16-14(7-12(8-18-16)11-4-5-23-10-11)15(20-21)17(22)19-9-13-3-2-6-24-13;1-21-16-14(8-12(9-18-16)11-6-7-23-10-11)15(20-21)17(22)19-13-4-2-3-5-13/h3,6-9,12-17,24,27H,2,4-5,10-11,18-23H2,1H3,(H,34,39);2-8,10H,9H2,1H3,(H,19,22);6-10,13H,2-5H2,1H3,(H,19,22)
InChIKeyZVUKYMYRFZDEIU-UHFFFAOYSA-N
MW1186.46 g/mol
LogP12.11
Rot. Bonds15

About N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide

N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 162233832) has the molecular formula C67H71N13O6S and a molecular weight of 1186.46 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID162233832
Molecular FormulaC67H71N13O6S
Molecular Weight1186.46 g/mol
Exact Mass1185.54
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCC2)c2cc(-c3ccoc3)cnc21.Cn1nc(C(=O)NC2CCN(CC3CCCCC3)CC2)c2ccc(OCc3ccccc3-c3ccccc3)nc21.Cn1nc(C(=O)NCc2cccs2)c2cc(-c3ccoc3)cnc21
InChIInChI=1S/C33H39N5O2.C17H14N4O2S.C17H18N4O2/c1-37-32-29(16-17-30(35-32)40-23-26-14-8-9-15-28(26)25-12-6-3-7-13-25)31(36-37)33(39)34-27-18-20-38(21-19-27)22-24-10-4-2-5-11-24;1-21-16-14(7-12(8-18-16)11-4-5-23-10-11)15(20-21)17(22)19-9-13-3-2-6-24-13;1-21-16-14(8-12(9-18-16)11-6-7-23-10-11)15(20-21)17(22)19-13-4-2-3-5-13/h3,6-9,12-17,24,27H,2,4-5,10-11,18-23H2,1H3,(H,34,39);2-8,10H,9H2,1H3,(H,19,22);6-10,13H,2-5H2,1H3,(H,19,22)
InChIKeyZVUKYMYRFZDEIU-UHFFFAOYSA-N
XLogP12.11
TPSA218.18 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001186.46
LogP ≤ 512.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide with MolForge

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Related Compounds

US10100058, Example 348
CID 134539892
US10100058, Example 349
CID 134539443
US10100058, Example 343
CID 134539500
US10100058, Example 355
CID 134539545
US10100058, Example 352
CID 134539721
US10100058, Example 344
CID 134539887
US10100058, Example 347
CID 134539943
US10100058, Example 351
CID 134539987
US10100058, Example 350
CID 134540107
US10100058, Example 346
CID 134539722
US10100058, Example 345
CID 134539968
US10100058, Example 354
CID 134539984

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide (CID 162233832) is N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide is Cn1nc(C(=O)NC2CCCC2)c2cc(-c3ccoc3)cnc21.Cn1nc(C(=O)NC2CCN(CC3CCCCC3)CC2)c2ccc(OCc3ccccc3-c3ccccc3)nc21.Cn1nc(C(=O)NCc2cccs2)c2cc(-c3ccoc3)cnc21.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is ZVUKYMYRFZDEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O2.C17H14N4O2S.C17H18N4O2/c1-37-32-29(16-17-30(35-32)40-23-26-14-8-9-15-28(26)25-12-6-3-7-13-25)31(36-37)33(39)34-27-18-20-38(21-19-27)22-24-10-4-2-5-11-24;1-21-16-14(7-12(8-18-16)11-4-5-23-10-11)15(20-21)17(22)19-9-13-3-2-6-24-13;1-21-16-14(8-12(9-18-16)11-6-7-23-10-11)15(20-21)17(22)19-13-4-2-3-5-13/h3,6-9,12-17,24,27H,2,4-5,10-11,18-23H2,1H3,(H,34,39);2-8,10H,9H2,1H3,(H,19,22);6-10,13H,2-5H2,1H3,(H,19,22).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 1186.46 g/mol, XLogP of 12.11, 15 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-[(2-phenylphenyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclopentyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-(furan-3-yl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 162233832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).