1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C100H116N18O7 — CID 161033636

About 1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 161033636) has the molecular formula C100H116N18O7 and a molecular weight of 1682.15 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 161033636
• Molecular Formula: C100H116N18O7
• Molecular Weight: 1682.15 g/mol
• Exact Mass: 1680.93
• IUPAC Name: 1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(C(C)(C)O)c4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(C(C)O)c4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(CO)c4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CC2CC2)C1
• InChI: InChI=1S/C27H32N4O2.C26H30N4O2.C25H28N4O2.C22H26N6O/c1-18(32)30-14-13-25-24(17-30)26(29-31(25)16-19-7-8-19)28-23-11-9-20(10-12-23)21-5-4-6-22(15-21)27(2,3)33;1-17(31)21-4-3-5-22(14-21)20-8-10-23(11-9-20)27-26-24-16-29(18(2)32)13-12-25(24)30(28-26)15-19-6-7-19;1-17(31)28-12-11-24-23(15-28)25(27-29(24)14-18-5-6-18)26-22-9-7-20(8-10-22)21-4-2-3-19(13-21)16-30;1-15(29)27-10-9-21-20(14-27)22(25-28(21)12-16-3-4-16)24-19-7-5-17(6-8-19)18-11-23-26(2)13-18/h4-6,9-12,15,19,33H,7-8,13-14,16-17H2,1-3H3,(H,28,29);3-5,8-11,14,17,19,31H,6-7,12-13,15-16H2,1-2H3,(H,27,28);2-4,7-10,13,18,30H,5-6,11-12,14-16H2,1H3,(H,26,27);5-8,11,13,16H,3-4,9-10,12,14H2,1-2H3,(H,24,25)
• InChIKey: TZYPMABAQNRAJP-UHFFFAOYSA-N
• XLogP: 16.94
• TPSA: 279.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1682.15
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 161033636) is 1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(C(C)(C)O)c4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(C(C)O)c4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(CO)c4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CC2CC2)C1.

What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is TZYPMABAQNRAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2.C26H30N4O2.C25H28N4O2.C22H26N6O/c1-18(32)30-14-13-25-24(17-30)26(29-31(25)16-19-7-8-19)28-23-11-9-20(10-12-23)21-5-4-6-22(15-21)27(2,3)33;1-17(31)21-4-3-5-22(14-21)20-8-10-23(11-9-20)27-26-24-16-29(18(2)32)13-12-25(24)30(28-26)15-19-6-7-19;1-17(31)28-12-11-24-23(15-28)25(27-29(24)14-18-5-6-18)26-22-9-7-20(8-10-22)21-4-2-3-19(13-21)16-30;1-15(29)27-10-9-21-20(14-27)22(25-28(21)12-16-3-4-16)24-19-7-5-17(6-8-19)18-11-23-26(2)13-18/h4-6,9-12,15,19,33H,7-8,13-14,16-17H2,1-3H3,(H,28,29);3-5,8-11,14,17,19,31H,6-7,12-13,15-16H2,1-2H3,(H,27,28);2-4,7-10,13,18,30H,5-6,11-12,14-16H2,1H3,(H,26,27);5-8,11,13,16H,3-4,9-10,12,14H2,1-2H3,(H,24,25).

What are the key properties of 1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1682.15 g/mol, XLogP of 16.94, 23 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(cyclopropylmethyl)-3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 161033636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).