3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane

C116H162F2N26O6S — CID 157371522

About 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane

3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane (PubChem CID 157371522) has the molecular formula C116H162F2N26O6S and a molecular weight of 2086.81 g/mol. Its IUPAC name is 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane.

Molecular Properties

• Compound Name: 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane
• PubChem CID: 157371522
• Molecular Formula: C116H162F2N26O6S
• Molecular Weight: 2086.81 g/mol
• Exact Mass: 2085.29
• IUPAC Name: 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane
• SMILES: CC1CCN(C(=O)CCc2[nH]nc3ccnc(NC4CCCCC4)c23)CC1.CCN(CC)C(=O)C1CCCN(C(=O)CCc2[nH]nc3ccnc(NC4CCCCC4)c23)C1.CN(CCc1ccccc1)C(=O)CCc1[nH]nc2ccnc(NC3CCCCC3)c12.O=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCCC(F)(F)C1.O=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCC[C@@H](c2ccccc2)C1.S
• InChI: InChI=1S/C26H33N5O.C25H38N6O2.C24H31N5O.C21H31N5O.C20H27F2N5O.H2S/c32-24(31-17-7-10-20(18-31)19-8-3-1-4-9-19)14-13-22-25-23(30-29-22)15-16-27-26(25)28-21-11-5-2-6-12-21;1-3-30(4-2)25(33)18-9-8-16-31(17-18)22(32)13-12-20-23-21(29-28-20)14-15-26-24(23)27-19-10-6-5-7-11-19;1-29(17-15-18-8-4-2-5-9-18)22(30)13-12-20-23-21(28-27-20)14-16-25-24(23)26-19-10-6-3-7-11-19;1-15-10-13-26(14-11-15)19(27)8-7-17-20-18(25-24-17)9-12-22-21(20)23-16-5-3-2-4-6-16;21-20(22)10-4-12-27(13-20)17(28)8-7-15-18-16(26-25-15)9-11-23-19(18)24-14-5-2-1-3-6-14;/h1,3-4,8-9,15-16,20-21H,2,5-7,10-14,17-18H2,(H,27,28)(H,29,30);14-15,18-19H,3-13,16-17H2,1-2H3,(H,26,27)(H,28,29);2,4-5,8-9,14,16,19H,3,6-7,10-13,15,17H2,1H3,(H,25,26)(H,27,28);9,12,15-16H,2-8,10-11,13-14H2,1H3,(H,22,23)(H,24,25);9,11,14H,1-8,10,12-13H2,(H,23,24)(H,25,26);1H2/t20-;;;;;/m1...../s1
• InChIKey: BJUXZELMIZOZSO-LHLYQOSOSA-N
• XLogP: 21.02
• TPSA: 389.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 32
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2086.81
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane?

The IUPAC name of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane (CID 157371522) is 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane.

What is the SMILES notation for 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane?

The canonical SMILES for 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane is CC1CCN(C(=O)CCc2[nH]nc3ccnc(NC4CCCCC4)c23)CC1.CCN(CC)C(=O)C1CCCN(C(=O)CCc2[nH]nc3ccnc(NC4CCCCC4)c23)C1.CN(CCc1ccccc1)C(=O)CCc1[nH]nc2ccnc(NC3CCCCC3)c12.O=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCCC(F)(F)C1.O=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCC[C@@H](c2ccccc2)C1.S.

What is the InChIKey of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane?

The InChIKey is BJUXZELMIZOZSO-LHLYQOSOSA-N. The full InChI is InChI=1S/C26H33N5O.C25H38N6O2.C24H31N5O.C21H31N5O.C20H27F2N5O.H2S/c32-24(31-17-7-10-20(18-31)19-8-3-1-4-9-19)14-13-22-25-23(30-29-22)15-16-27-26(25)28-21-11-5-2-6-12-21;1-3-30(4-2)25(33)18-9-8-16-31(17-18)22(32)13-12-20-23-21(29-28-20)14-15-26-24(23)27-19-10-6-5-7-11-19;1-29(17-15-18-8-4-2-5-9-18)22(30)13-12-20-23-21(28-27-20)14-16-25-24(23)26-19-10-6-3-7-11-19;1-15-10-13-26(14-11-15)19(27)8-7-17-20-18(25-24-17)9-12-22-21(20)23-16-5-3-2-4-6-16;21-20(22)10-4-12-27(13-20)17(28)8-7-15-18-16(26-25-15)9-11-23-19(18)24-14-5-2-1-3-6-14;/h1,3-4,8-9,15-16,20-21H,2,5-7,10-14,17-18H2,(H,27,28)(H,29,30);14-15,18-19H,3-13,16-17H2,1-2H3,(H,26,27)(H,28,29);2,4-5,8-9,14,16,19H,3,6-7,10-13,15,17H2,1H3,(H,25,26)(H,27,28);9,12,15-16H,2-8,10-11,13-14H2,1H3,(H,22,23)(H,24,25);9,11,14H,1-8,10,12-13H2,(H,23,24)(H,25,26);1H2/t20-;;;;;/m1...../s1.

What are the key properties of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane?

3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane has a molecular weight of 2086.81 g/mol, XLogP of 21.02, 32 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane is sourced from PubChem (CID 157371522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).