C74H80N24O2 — CID 158494766
2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol;2-[(1-ethylcyclopropyl)methyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;2-(3-methylcyclopentyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;2-(2-propoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine (PubChem CID 158494766) has the molecular formula C74H80N24O2 and a molecular weight of 1337.62 g/mol. Its IUPAC name is 2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol;2-[(1-ethylcyclopropyl)methyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;2-(3-methylcyclopentyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;2-(2-propoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine.
| Compound Name | 2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol;2-[(1-ethylcyclopropyl)methyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;2-(3-methylcyclopentyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;2-(2-propoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine |
|---|---|
| PubChem CID | 158494766 |
| Molecular Formula | C74H80N24O2 |
| Molecular Weight | 1337.62 g/mol |
| Exact Mass | 1336.69 |
| IUPAC Name | 2-[[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]methyl]butan-1-ol;2-[(1-ethylcyclopropyl)methyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;2-(3-methylcyclopentyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine;2-(2-propoxyethyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine |
| SMILES | CC1CCC(n2cc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3n2)C1.CCC(CO)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.CCC1(Cn2cc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3n2)CC1.CCCOCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1 |
| InChI | InChI=1S/2C19H20N6.2C18H20N6O/c1-11-2-4-13(8-11)25-10-15-18(24-25)14-5-3-12(16-6-7-21-23-16)9-17(14)22-19(15)20;1-2-19(6-7-19)11-25-10-14-17(24-25)13-4-3-12(15-5-8-21-23-15)9-16(13)22-18(14)20;1-2-11(10-25)8-24-9-14-17(23-24)13-4-3-12(15-5-6-20-22-15)7-16(13)21-18(14)19;1-2-8-25-9-7-24-11-14-17(23-24)13-4-3-12(15-5-6-20-22-15)10-16(13)21-18(14)19/h3,5-7,9-11,13H,2,4,8H2,1H3,(H2,20,22)(H,21,23);3-5,8-10H,2,6-7,11H2,1H3,(H2,20,22)(H,21,23);3-7,9,11,25H,2,8,10H2,1H3,(H2,19,21)(H,20,22);3-6,10-11H,2,7-9H2,1H3,(H2,19,21)(H,20,22) |
| InChIKey | HJDIIQZWFFHBOF-UHFFFAOYSA-N |
| XLogP | 13.22 |
| TPSA | 371.10 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 100 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1337.62 |
| LogP ≤ 5 | 13.22 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|