N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C111H121N19O12 — CID 157054604

About N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 157054604) has the molecular formula C111H121N19O12 and a molecular weight of 1913.31 g/mol. Its IUPAC name is N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 157054604
• Molecular Formula: C111H121N19O12
• Molecular Weight: 1913.31 g/mol
• Exact Mass: 1911.94
• IUPAC Name: N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CC1=CC2C(=O)C=C(CN3CCc4c(c(C(=O)NCc5ccccc5)nn4CCO)C3)OC2C=C1.COc1ccc(CN2CCc3c(c(C(=O)NCc4cccc(C)c4)nn3CCO)C2)c2ccccc12.COc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5cccnc45)nn3CCO)C2)c2ccccc12.Cc1nc2n(c1CN1CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C1)C=CC2
• InChI: InChI=1S/C31H31N5O3.C29H32N4O3.C27H30N4O4.C24H28N6O2/c1-39-28-12-11-23(24-9-2-3-10-25(24)28)19-35-15-13-27-26(20-35)30(34-36(27)16-17-37)31(38)33-18-22-7-4-6-21-8-5-14-32-29(21)22;1-20-6-5-7-21(16-20)17-30-29(35)28-25-19-32(13-12-26(25)33(31-28)14-15-34)18-22-10-11-27(36-2)24-9-4-3-8-23(22)24;1-18-7-8-25-21(13-18)24(33)14-20(35-25)16-30-10-9-23-22(17-30)26(29-31(23)11-12-32)27(34)28-15-19-5-3-2-4-6-19;1-17-21(29-10-5-8-22(29)26-17)16-28-11-9-20-19(15-28)23(27-30(20)12-13-31)24(32)25-14-18-6-3-2-4-7-18/h2-12,14,37H,13,15-20H2,1H3,(H,33,38);3-11,16,34H,12-15,17-19H2,1-2H3,(H,30,35);2-8,13-14,21,25,32H,9-12,15-17H2,1H3,(H,28,34);2-7,10,31H,8-9,11-16H2,1H3,(H,25,32)
• InChIKey: AAPJYMDQTOTVJC-UHFFFAOYSA-N
• XLogP: 11.95
• TPSA: 357.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1913.31
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 157054604) is N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC1=CC2C(=O)C=C(CN3CCc4c(c(C(=O)NCc5ccccc5)nn4CCO)C3)OC2C=C1.COc1ccc(CN2CCc3c(c(C(=O)NCc4cccc(C)c4)nn3CCO)C2)c2ccccc12.COc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5cccnc45)nn3CCO)C2)c2ccccc12.Cc1nc2n(c1CN1CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C1)C=CC2.

What is the InChIKey of N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is AAPJYMDQTOTVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O3.C29H32N4O3.C27H30N4O4.C24H28N6O2/c1-39-28-12-11-23(24-9-2-3-10-25(24)28)19-35-15-13-27-26(20-35)30(34-36(27)16-17-37)31(38)33-18-22-7-4-6-21-8-5-14-32-29(21)22;1-20-6-5-7-21(16-20)17-30-29(35)28-25-19-32(13-12-26(25)33(31-28)14-15-34)18-22-10-11-27(36-2)24-9-4-3-8-23(22)24;1-18-7-8-25-21(13-18)24(33)14-20(35-25)16-30-10-9-23-22(17-30)26(29-31(23)11-12-32)27(34)28-15-19-5-3-2-4-6-19;1-17-21(29-10-5-8-22(29)26-17)16-28-11-9-20-19(15-28)23(27-30(20)12-13-31)24(32)25-14-18-6-3-2-4-7-18/h2-12,14,37H,13,15-20H2,1H3,(H,33,38);3-11,16,34H,12-15,17-19H2,1-2H3,(H,30,35);2-8,13-14,21,25,32H,9-12,15-17H2,1H3,(H,28,34);2-7,10,31H,8-9,11-16H2,1H3,(H,25,32).

What are the key properties of N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 1913.31 g/mol, XLogP of 11.95, 30 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 157054604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).