1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C97H108N18O6 — CID 160927826

About 1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 160927826) has the molecular formula C97H108N18O6 and a molecular weight of 1622.05 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 160927826
• Molecular Formula: C97H108N18O6
• Molecular Weight: 1622.05 g/mol
• Exact Mass: 1620.87
• IUPAC Name: 1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Nc3cccc(-c4ccc(CO)cc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cccc(C(C)O)c4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cccnc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4ccncc4)c3)nn2CC2CC2)C1
• InChI: InChI=1S/C26H30N4O2.C25H28N4O2.2C23H25N5O/c1-17(31)20-5-3-6-21(13-20)22-7-4-8-23(14-22)27-26-24-16-29(18(2)32)12-11-25(24)30(28-26)15-19-9-10-19;1-17(31)28-12-11-24-23(15-28)25(27-29(24)14-18-5-6-18)26-22-4-2-3-21(13-22)20-9-7-19(16-30)8-10-20;1-16(29)27-11-9-22-21(15-27)23(26-28(22)14-17-7-8-17)25-20-6-2-4-18(12-20)19-5-3-10-24-13-19;1-16(29)27-12-9-22-21(15-27)23(26-28(22)14-17-5-6-17)25-20-4-2-3-19(13-20)18-7-10-24-11-8-18/h3-8,13-14,17,19,31H,9-12,15-16H2,1-2H3,(H,27,28);2-4,7-10,13,18,30H,5-6,11-12,14-16H2,1H3,(H,26,27);2-6,10,12-13,17H,7-9,11,14-15H2,1H3,(H,25,26);2-4,7-8,10-11,13,17H,5-6,9,12,14-15H2,1H3,(H,25,26)
• InChIKey: SSWJDSFLZCFNNM-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 266.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1622.05
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 160927826) is 1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(-c4ccc(CO)cc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cccc(C(C)O)c4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cccnc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4ccncc4)c3)nn2CC2CC2)C1.

What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is SSWJDSFLZCFNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2.C25H28N4O2.2C23H25N5O/c1-17(31)20-5-3-6-21(13-20)22-7-4-8-23(14-22)27-26-24-16-29(18(2)32)12-11-25(24)30(28-26)15-19-9-10-19;1-17(31)28-12-11-24-23(15-28)25(27-29(24)14-18-5-6-18)26-22-4-2-3-21(13-22)20-9-7-19(16-30)8-10-20;1-16(29)27-11-9-22-21(15-27)23(26-28(22)14-17-7-8-17)25-20-6-2-4-18(12-20)19-5-3-10-24-13-19;1-16(29)27-12-9-22-21(15-27)23(26-28(22)14-17-5-6-17)25-20-4-2-3-19(13-20)18-7-10-24-11-8-18/h3-8,13-14,17,19,31H,9-12,15-16H2,1-2H3,(H,27,28);2-4,7-10,13,18,30H,5-6,11-12,14-16H2,1H3,(H,26,27);2-6,10,12-13,17H,7-9,11,14-15H2,1H3,(H,25,26);2-4,7-8,10-11,13,17H,5-6,9,12,14-15H2,1H3,(H,25,26).

What are the key properties of 1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1622.05 g/mol, XLogP of 16.77, 22 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(cyclopropylmethyl)-3-[3-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-[4-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(3-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 160927826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).