1-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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

C89H99BrN18O5 — CID 157277753

About 1-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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 157277753) has the molecular formula C89H99BrN18O5 and a molecular weight of 1580.80 g/mol. Its IUPAC name is 1-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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: 157277753
• Molecular Formula: C89H99BrN18O5
• Molecular Weight: 1580.80 g/mol
• Exact Mass: 1578.72
• IUPAC Name: 1-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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(-c4cccnc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4ccncc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(Br)c3)nn2CC2CC2)C1
• InChI: InChI=1S/C25H28N4O2.2C23H25N5O.C18H21BrN4O/c1-17(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;1-12(24)22-8-7-17-16(11-22)18(21-23(17)10-13-5-6-13)20-15-4-2-3-14(19)9-15/h2-4,7-10,13,18,30H,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);2-4,9,13H,5-8,10-11H2,1H3,(H,20,21)
• InChIKey: AZHMSYCNGSFBOU-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 246.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1580.80
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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 157277753) is 1-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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(-c4cccnc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4ccncc4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(Br)c3)nn2CC2CC2)C1.

What is the InChIKey of 1-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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 AZHMSYCNGSFBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.2C23H25N5O.C18H21BrN4O/c1-17(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;1-12(24)22-8-7-17-16(11-22)18(21-23(17)10-13-5-6-13)20-15-4-2-3-14(19)9-15/h2-4,7-10,13,18,30H,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);2-4,9,13H,5-8,10-11H2,1H3,(H,20,21).

What are the key properties of 1-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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 1580.80 g/mol, XLogP of 15.81, 20 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3-bromoanilino)-1-(cyclopropylmethyl)-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 157277753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).