5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C110H117N19O9 — CID 159780441

About 5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 159780441) has the molecular formula C110H117N19O9 and a molecular weight of 1849.27 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 159780441
• Molecular Formula: C110H117N19O9
• Molecular Weight: 1849.27 g/mol
• Exact Mass: 1847.93
• IUPAC Name: 5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1cccc(CNC(=O)c2nn(CCO)c3c2CN(Cc2c[nH]c4ccccc24)CC3)c1.Cc1cccc(CNC(=O)c2nn(CCO)c3c2CN(Cc2c[nH]c4ccccc24)CC3)c1.O=C(NCc1cccc2ccccc12)c1nn(CCO)c2c1CN(Cc1cccc3c1OCC3)CC2.O=C(NCc1cccc2ccccc12)c1nn(CCO)c2c1CN(Cc1cccc3cc[nH]c13)CC2
• InChI: InChI=1S/C29H29N5O2.C29H30N4O3.2C26H29N5O2/c35-16-15-34-26-12-14-33(18-23-9-4-7-21-11-13-30-27(21)23)19-25(26)28(32-34)29(36)31-17-22-8-3-6-20-5-1-2-10-24(20)22;34-15-14-33-26-11-13-32(18-23-9-4-7-21-12-16-36-28(21)23)19-25(26)27(31-33)29(35)30-17-22-8-3-6-20-5-1-2-10-24(20)22;2*1-18-5-4-6-19(13-18)14-28-26(33)25-22-17-30(10-9-24(22)31(29-25)11-12-32)16-20-15-27-23-8-3-2-7-21(20)23/h1-11,13,30,35H,12,14-19H2,(H,31,36);1-10,34H,11-19H2,(H,30,35);2*2-8,13,15,27,32H,9-12,14,16-17H2,1H3,(H,28,33)
• InChIKey: NHHFWQCIZNIBJO-UHFFFAOYSA-N
• XLogP: 13.76
• TPSA: 338.16 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1849.27
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 159780441) is 5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cccc(CNC(=O)c2nn(CCO)c3c2CN(Cc2c[nH]c4ccccc24)CC3)c1.Cc1cccc(CNC(=O)c2nn(CCO)c3c2CN(Cc2c[nH]c4ccccc24)CC3)c1.O=C(NCc1cccc2ccccc12)c1nn(CCO)c2c1CN(Cc1cccc3c1OCC3)CC2.O=C(NCc1cccc2ccccc12)c1nn(CCO)c2c1CN(Cc1cccc3cc[nH]c13)CC2.

What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is NHHFWQCIZNIBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2.C29H30N4O3.2C26H29N5O2/c35-16-15-34-26-12-14-33(18-23-9-4-7-21-11-13-30-27(21)23)19-25(26)28(32-34)29(36)31-17-22-8-3-6-20-5-1-2-10-24(20)22;34-15-14-33-26-11-13-32(18-23-9-4-7-21-12-16-36-28(21)23)19-25(26)27(31-33)29(35)30-17-22-8-3-6-20-5-1-2-10-24(20)22;2*1-18-5-4-6-19(13-18)14-28-26(33)25-22-17-30(10-9-24(22)31(29-25)11-12-32)16-20-15-27-23-8-3-2-7-21(20)23/h1-11,13,30,35H,12,14-19H2,(H,31,36);1-10,34H,11-19H2,(H,30,35);2*2-8,13,15,27,32H,9-12,14,16-17H2,1H3,(H,28,33).

What are the key properties of 5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 1849.27 g/mol, XLogP of 13.76, 28 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide);1-(2-hydroxyethyl)-5-(1H-indol-7-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 159780441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).