1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-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-(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-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C114H133BrN24O7 — CID 157201509

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

1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-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-(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-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 157201509) has the molecular formula C114H133BrN24O7 and a molecular weight of 2031.38 g/mol. Its IUPAC name is 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-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-(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-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-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-(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-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 157201509
• Molecular Formula: C114H133BrN24O7
• Molecular Weight: 2031.38 g/mol
• Exact Mass: 2029.00
• IUPAC Name: 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-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-(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-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: C=CCn1nc(Nc2cccc(-c3cnn(C)c3)c2)c2c1CCN(C(C)=O)C2.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(-c4cnn(C)c4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(Br)cc3)nn2CC2CC2)C1
• InChI: InChI=1S/C27H32N4O2.C26H30N4O2.C22H26N6O.C21H24N6O.C18H21BrN4O/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;1-15(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;1-4-9-27-20-8-10-26(15(2)28)14-19(20)21(24-27)23-18-7-5-6-16(11-18)17-12-22-25(3)13-17;1-12(24)22-9-8-17-16(11-22)18(21-23(17)10-13-2-3-13)20-15-6-4-14(19)5-7-15/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);5-8,11,13,16H,3-4,9-10,12,14H2,1-2H3,(H,24,25);4-7,11-13H,1,8-10,14H2,2-3H3,(H,23,24);4-7,13H,2-3,8-11H2,1H3,(H,20,21)
• InChIKey: AQVRDIKASXBEFU-UHFFFAOYSA-N
• XLogP: 19.66
• TPSA: 326.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2031.38
LogP ≤ 5	19.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-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-(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-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 157201509) is 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-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-(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-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-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-(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-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-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-(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-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is C=CCn1nc(Nc2cccc(-c3cnn(C)c3)c2)c2c1CCN(C(C)=O)C2.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(-c4cnn(C)c4)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(Br)cc3)nn2CC2CC2)C1.

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

The InChIKey is AQVRDIKASXBEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2.C26H30N4O2.C22H26N6O.C21H24N6O.C18H21BrN4O/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;1-15(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;1-4-9-27-20-8-10-26(15(2)28)14-19(20)21(24-27)23-18-7-5-6-16(11-18)17-12-22-25(3)13-17;1-12(24)22-9-8-17-16(11-22)18(21-23(17)10-13-2-3-13)20-15-6-4-14(19)5-7-15/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);5-8,11,13,16H,3-4,9-10,12,14H2,1-2H3,(H,24,25);4-7,11-13H,1,8-10,14H2,2-3H3,(H,23,24);4-7,13H,2-3,8-11H2,1H3,(H,20,21).

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

1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-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-(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-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2031.38 g/mol, XLogP of 19.66, 26 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-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-(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-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 157201509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).