5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C104H114N18O10 — CID 161437861

About 5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 161437861) has the molecular formula C104H114N18O10 and a molecular weight of 1776.17 g/mol. Its IUPAC name is 5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 161437861
• Molecular Formula: C104H114N18O10
• Molecular Weight: 1776.17 g/mol
• Exact Mass: 1774.90
• IUPAC Name: 5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CC(NC(=O)c1nn(CCO)c2c1CN(Cc1cccc3c1OCC3)CC2)c1ccccc1.Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1noc3c1CCCC3)C2.O=C(NC1CCc2ccccc2C1)c1nn(Cc2ccccn2)c2c1CN(Cc1ccccc1)CC2.O=C(NCc1ccccc1)c1nn(CCO)c2c1CN(Cc1ccc3c(c1)OC=CO3)CC2
• InChI: InChI=1S/C30H31N5O.C26H30N4O3.C25H26N4O4.C23H27N5O2/c36-30(32-25-14-13-23-10-4-5-11-24(23)18-25)29-27-21-34(19-22-8-2-1-3-9-22)17-15-28(27)35(33-29)20-26-12-6-7-16-31-26;1-18(19-6-3-2-4-7-19)27-26(32)24-22-17-29(12-10-23(22)30(28-24)13-14-31)16-21-9-5-8-20-11-15-33-25(20)21;30-11-10-29-21-8-9-28(16-19-6-7-22-23(14-19)33-13-12-32-22)17-20(21)24(27-29)25(31)26-15-18-4-2-1-3-5-18;1-27-20-11-12-28(15-19-17-9-5-6-10-21(17)30-26-19)14-18(20)22(25-27)23(29)24-13-16-7-3-2-4-8-16/h1-12,16,25H,13-15,17-21H2,(H,32,36);2-9,18,31H,10-17H2,1H3,(H,27,32);1-7,12-14,30H,8-11,15-17H2,(H,26,31);2-4,7-8H,5-6,9-15H2,1H3,(H,24,29)
• InChIKey: VYWSDYJYJRMIEK-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 307.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1776.17
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 161437861) is 5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(NC(=O)c1nn(CCO)c2c1CN(Cc1cccc3c1OCC3)CC2)c1ccccc1.Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1noc3c1CCCC3)C2.O=C(NC1CCc2ccccc2C1)c1nn(Cc2ccccn2)c2c1CN(Cc1ccccc1)CC2.O=C(NCc1ccccc1)c1nn(CCO)c2c1CN(Cc1ccc3c(c1)OC=CO3)CC2.

What is the InChIKey of 5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is VYWSDYJYJRMIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O.C26H30N4O3.C25H26N4O4.C23H27N5O2/c36-30(32-25-14-13-23-10-4-5-11-24(23)18-25)29-27-21-34(19-22-8-2-1-3-9-22)17-15-28(27)35(33-29)20-26-12-6-7-16-31-26;1-18(19-6-3-2-4-7-19)27-26(32)24-22-17-29(12-10-23(22)30(28-24)13-14-31)16-21-9-5-8-20-11-15-33-25(20)21;30-11-10-29-21-8-9-28(16-19-6-7-22-23(14-19)33-13-12-32-22)17-20(21)24(27-29)25(31)26-15-18-4-2-1-3-5-18;1-27-20-11-12-28(15-19-17-9-5-6-10-21(17)30-26-19)14-18(20)22(25-27)23(29)24-13-16-7-3-2-4-8-16/h1-12,16,25H,13-15,17-21H2,(H,32,36);2-9,18,31H,10-17H2,1H3,(H,27,32);1-7,12-14,30H,8-11,15-17H2,(H,26,31);2-4,7-8H,5-6,9-15H2,1H3,(H,24,29).

What are the key properties of 5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 1776.17 g/mol, XLogP of 12.41, 25 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,4-benzodioxin-6-ylmethyl)-N-benzyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-methyl-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-benzyl-1-(pyridin-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 161437861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).