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

C118H129F2N23O6 — CID 158799893

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

1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)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-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(4-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158799893) has the molecular formula C118H129F2N23O6 and a molecular weight of 2003.48 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)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-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(4-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)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-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(4-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 158799893
• Molecular Formula: C118H129F2N23O6
• Molecular Weight: 2003.48 g/mol
• Exact Mass: 2002.05
• IUPAC Name: 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)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-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(4-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(CO)c4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(F)c4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccccc4F)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccncc4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccnn4C)cc3)nn2CC2CC2)C1
• InChI: InChI=1S/C25H28N4O2.2C24H25FN4O.C23H25N5O.C22H26N6O/c1-17(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;1-16(30)28-12-11-23-22(15-28)24(27-29(23)14-17-5-6-17)26-21-9-7-18(8-10-21)19-3-2-4-20(25)13-19;1-16(30)28-13-12-23-21(15-28)24(27-29(23)14-17-6-7-17)26-19-10-8-18(9-11-19)20-4-2-3-5-22(20)25;1-16(29)27-13-10-22-21(15-27)23(26-28(22)14-17-2-3-17)25-20-6-4-18(5-7-20)19-8-11-24-12-9-19;1-15(29)27-12-10-21-19(14-27)22(25-28(21)13-16-3-4-16)24-18-7-5-17(6-8-18)20-9-11-23-26(20)2/h2-4,7-10,13,18,30H,5-6,11-12,14-16H2,1H3,(H,26,27);2-4,7-10,13,17H,5-6,11-12,14-15H2,1H3,(H,26,27);2-5,8-11,17H,6-7,12-15H2,1H3,(H,26,27);4-9,11-12,17H,2-3,10,13-15H2,1H3,(H,25,26);5-9,11,16H,3-4,10,12-14H2,1-2H3,(H,24,25)
• InChIKey: ITIRFBYPIMHWSW-UHFFFAOYSA-N
• XLogP: 20.94
• TPSA: 301.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2003.48
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)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-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(4-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158799893) is 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)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-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(4-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-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)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-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(4-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)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-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(4-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(CO)c4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(F)c4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccccc4F)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccncc4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccnn4C)cc3)nn2CC2CC2)C1.

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

The InChIKey is ITIRFBYPIMHWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.2C24H25FN4O.C23H25N5O.C22H26N6O/c1-17(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;1-16(30)28-12-11-23-22(15-28)24(27-29(23)14-17-5-6-17)26-21-9-7-18(8-10-21)19-3-2-4-20(25)13-19;1-16(30)28-13-12-23-21(15-28)24(27-29(23)14-17-6-7-17)26-19-10-8-18(9-11-19)20-4-2-3-5-22(20)25;1-16(29)27-13-10-22-21(15-27)23(26-28(22)14-17-2-3-17)25-20-6-4-18(5-7-20)19-8-11-24-12-9-19;1-15(29)27-12-10-21-19(14-27)22(25-28(21)13-16-3-4-16)24-18-7-5-17(6-8-18)20-9-11-23-26(20)2/h2-4,7-10,13,18,30H,5-6,11-12,14-16H2,1H3,(H,26,27);2-4,7-10,13,17H,5-6,11-12,14-15H2,1H3,(H,26,27);2-5,8-11,17H,6-7,12-15H2,1H3,(H,26,27);4-9,11-12,17H,2-3,10,13-15H2,1H3,(H,25,26);5-9,11,16H,3-4,10,12-14H2,1-2H3,(H,24,25).

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

1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)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-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(4-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2003.48 g/mol, XLogP of 20.94, 26 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(cyclopropylmethyl)-3-[4-(2-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)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-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(4-pyridin-4-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 158799893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).