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-(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
C93H101F2N19O4 — CID 158436810
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[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-(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
SMILESCC(=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
InChIInChI=1S/2C24H25FN4O.C23H25N5O.C22H26N6O/c1-16(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/h2-4,7-10,13,17H,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)
InChIKeyHCIDRPGHXVNOQQ-UHFFFAOYSA-N
MW1586.96 g/mol
LogP16.84
Rot. Bonds20
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-(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-(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 158436810) has the molecular formula C93H101F2N19O4 and a molecular weight of 1586.96 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-(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-(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 | 158436810 |
| Molecular Formula | C93H101F2N19O4 |
| Molecular Weight | 1586.96 g/mol |
| Exact Mass | 1585.83 |
| 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-(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(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/2C24H25FN4O.C23H25N5O.C22H26N6O/c1-16(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/h2-4,7-10,13,17H,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 | HCIDRPGHXVNOQQ-UHFFFAOYSA-N |
| XLogP | 16.84 |
| TPSA | 231.35 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 118 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1586.96 |
| LogP ≤ 5 | 16.84 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 19 |
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-(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-(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 158436810) 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-(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-(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-(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(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-(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 HCIDRPGHXVNOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25FN4O.C23H25N5O.C22H26N6O/c1-16(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/h2-4,7-10,13,17H,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-(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-(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 1586.96 g/mol, XLogP of 16.84, 20 rotatable bonds, 4 hydrogen bond donors, and 19 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-(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 158436810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158436810 — identifiers, structure, computed properties (public domain)
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