1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol

C83H97BrF2N22O5 — CID 159779298

About 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol

1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol (PubChem CID 159779298) has the molecular formula C83H97BrF2N22O5 and a molecular weight of 1600.74 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-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol.

Molecular Properties

• Compound Name: 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol
• PubChem CID: 159779298
• Molecular Formula: C83H97BrF2N22O5
• Molecular Weight: 1600.74 g/mol
• Exact Mass: 1598.72
• IUPAC Name: 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol
• SMILES: C=CCn1nc(Nc2cccc(-c3cnn(C)c3)c2)c2c1CCN(C(C)O)C2.CC(=O)N1CCc2c(c(Nc3ccc(Br)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3)nn2CC2CC2(F)F)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3)nn2CC2COC2)C1
• InChI: InChI=1S/C22H24F2N6O.C22H26N6O2.C21H26N6O.C18H21BrN4O/c1-14(31)29-7-6-20-19(13-29)21(27-30(20)12-17-9-22(17,23)24)26-18-5-3-4-15(8-18)16-10-25-28(2)11-16;1-15(29)27-7-6-21-20(12-27)22(25-28(21)10-16-13-30-14-16)24-19-5-3-4-17(8-19)18-9-23-26(2)11-18;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/h3-5,8,10-11,17H,6-7,9,12-13H2,1-2H3,(H,26,27);3-5,8-9,11,16H,6-7,10,12-14H2,1-2H3,(H,24,25);4-7,11-13,15,28H,1,8-10,14H2,2-3H3,(H,23,24);4-7,13H,2-3,8-11H2,1H3,(H,20,21)
• InChIKey: NHDPSZPNHPADCH-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 266.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1600.74
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

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-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol?

The IUPAC name of 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol (CID 159779298) is 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol.

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-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol?

The canonical SMILES for 1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol is C=CCn1nc(Nc2cccc(-c3cnn(C)c3)c2)c2c1CCN(C(C)O)C2.CC(=O)N1CCc2c(c(Nc3ccc(Br)cc3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3)nn2CC2CC2(F)F)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3)nn2CC2COC2)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-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol?

The InChIKey is NHDPSZPNHPADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O.C22H26N6O2.C21H26N6O.C18H21BrN4O/c1-14(31)29-7-6-20-19(13-29)21(27-30(20)12-17-9-22(17,23)24)26-18-5-3-4-15(8-18)16-10-25-28(2)11-16;1-15(29)27-7-6-21-20(12-27)22(25-28(21)10-16-13-30-14-16)24-19-5-3-4-17(8-19)18-9-23-26(2)11-18;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/h3-5,8,10-11,17H,6-7,9,12-13H2,1-2H3,(H,26,27);3-5,8-9,11,16H,6-7,10,12-14H2,1-2H3,(H,24,25);4-7,11-13,15,28H,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-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol?

1-[3-(4-bromoanilino)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol has a molecular weight of 1600.74 g/mol, XLogP of 12.78, 20 rotatable bonds, 5 hydrogen bond donors, and 24 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-[(2,2-difluorocyclopropyl)methyl]-3-[3-(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-(oxetan-3-ylmethyl)-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]ethanol is sourced from PubChem (CID 159779298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).