1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine
C105H94N32O2S — CID 158932526
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine
SMILESCS(=O)(=O)Nc1ccc(Nc2cc(Nc3n[nH]c4ccccc34)c3ccccc3n2)cc1.Cc1cc(Nc2cc(Nc3ccc4cn[nH]c4c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(NCc3cccnc3)cc3ccccc23)n[nH]1.c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(Nc3ccc4cn[nH]c4c3)cc2c1.c1cncc(CNc2cc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)c1
InChIInChI=1S/C23H20N6O2S.C22H19N7.C21H20N6.C20H17N7.C19H18N6/c1-32(30,31)29-16-12-10-15(11-13-16)24-22-14-21(17-6-2-4-8-19(17)25-22)26-23-18-7-3-5-9-20(18)27-28-23;1-2-4-17-14(3-1)9-20(24-16-8-7-15-12-23-27-18(15)10-16)25-22(17)26-21-11-19(28-29-21)13-5-6-13;1-2-6-17-16(5-1)19(25-21-10-18(26-27-21)15-7-8-15)11-20(24-17)23-13-14-4-3-9-22-12-14;1-12-8-20(27-25-12)24-18-10-19(23-16-5-3-2-4-15(16)18)22-14-7-6-13-11-21-26-17(13)9-14;1-13-9-18(25-24-13)23-19-16-7-3-2-6-15(16)10-17(22-19)21-12-14-5-4-8-20-11-14/h2-14,29H,1H3,(H3,24,25,26,27,28);1-4,7-13H,5-6H2,(H,23,27)(H3,24,25,26,28,29);1-6,9-12,15H,7-8,13H2,(H3,23,24,25,26,27);2-11H,1H3,(H,21,26)(H3,22,23,24,25,27);2-11H,12H2,1H3,(H3,21,22,23,24,25)
InChIKeyJJFZTNRSPKSFQV-UHFFFAOYSA-N
MW1868.20 g/mol
LogP23.40
Rot. Bonds26
About 1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine
1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine (PubChem CID 158932526) has the molecular formula C105H94N32O2S and a molecular weight of 1868.20 g/mol. Its IUPAC name is 1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine.
Molecular Properties
| Compound Name | 1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine |
|---|---|
| PubChem CID | 158932526 |
| Molecular Formula | C105H94N32O2S |
| Molecular Weight | 1868.20 g/mol |
| Exact Mass | 1866.80 |
| IUPAC Name | 1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine |
| SMILES | CS(=O)(=O)Nc1ccc(Nc2cc(Nc3n[nH]c4ccccc34)c3ccccc3n2)cc1.Cc1cc(Nc2cc(Nc3ccc4cn[nH]c4c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(NCc3cccnc3)cc3ccccc23)n[nH]1.c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(Nc3ccc4cn[nH]c4c3)cc2c1.c1cncc(CNc2cc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)c1 |
| InChI | InChI=1S/C23H20N6O2S.C22H19N7.C21H20N6.C20H17N7.C19H18N6/c1-32(30,31)29-16-12-10-15(11-13-16)24-22-14-21(17-6-2-4-8-19(17)25-22)26-23-18-7-3-5-9-20(18)27-28-23;1-2-4-17-14(3-1)9-20(24-16-8-7-15-12-23-27-18(15)10-16)25-22(17)26-21-11-19(28-29-21)13-5-6-13;1-2-6-17-16(5-1)19(25-21-10-18(26-27-21)15-7-8-15)11-20(24-17)23-13-14-4-3-9-22-12-14;1-12-8-20(27-25-12)24-18-10-19(23-16-5-3-2-4-15(16)18)22-14-7-6-13-11-21-26-17(13)9-14;1-13-9-18(25-24-13)23-19-16-7-3-2-6-15(16)10-17(22-19)21-12-14-5-4-8-20-11-14/h2-14,29H,1H3,(H3,24,25,26,27,28);1-4,7-13H,5-6H2,(H,23,27)(H3,24,25,26,28,29);1-6,9-12,15H,7-8,13H2,(H3,23,24,25,26,27);2-11H,1H3,(H,21,26)(H3,22,23,24,25,27);2-11H,12H2,1H3,(H3,21,22,23,24,25) |
| InChIKey | JJFZTNRSPKSFQV-UHFFFAOYSA-N |
| XLogP | 23.40 |
| TPSA | 457.46 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 140 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1868.20 |
| LogP ≤ 5 | 23.40 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 26 |
Frequently Asked Questions
What is the IUPAC name of 1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine?
The IUPAC name of 1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine (CID 158932526) is 1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine.
What is the SMILES notation for 1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine?
The canonical SMILES for 1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine is CS(=O)(=O)Nc1ccc(Nc2cc(Nc3n[nH]c4ccccc34)c3ccccc3n2)cc1.Cc1cc(Nc2cc(Nc3ccc4cn[nH]c4c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(NCc3cccnc3)cc3ccccc23)n[nH]1.c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(Nc3ccc4cn[nH]c4c3)cc2c1.c1cncc(CNc2cc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)c1.
What is the InChIKey of 1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine?
The InChIKey is JJFZTNRSPKSFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S.C22H19N7.C21H20N6.C20H17N7.C19H18N6/c1-32(30,31)29-16-12-10-15(11-13-16)24-22-14-21(17-6-2-4-8-19(17)25-22)26-23-18-7-3-5-9-20(18)27-28-23;1-2-4-17-14(3-1)9-20(24-16-8-7-15-12-23-27-18(15)10-16)25-22(17)26-21-11-19(28-29-21)13-5-6-13;1-2-6-17-16(5-1)19(25-21-10-18(26-27-21)15-7-8-15)11-20(24-17)23-13-14-4-3-9-22-12-14;1-12-8-20(27-25-12)24-18-10-19(23-16-5-3-2-4-15(16)18)22-14-7-6-13-11-21-26-17(13)9-14;1-13-9-18(25-24-13)23-19-16-7-3-2-6-15(16)10-17(22-19)21-12-14-5-4-8-20-11-14/h2-14,29H,1H3,(H3,24,25,26,27,28);1-4,7-13H,5-6H2,(H,23,27)(H3,24,25,26,28,29);1-6,9-12,15H,7-8,13H2,(H3,23,24,25,26,27);2-11H,1H3,(H,21,26)(H3,22,23,24,25,27);2-11H,12H2,1H3,(H3,21,22,23,24,25).
What are the key properties of 1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine?
1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine has a molecular weight of 1868.20 g/mol, XLogP of 23.40, 26 rotatable bonds, 18 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-(1H-indazol-6-yl)isoquinoline-1,3-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine;N-[4-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]phenyl]methanesulfonamide;2-N-(1H-indazol-6-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinoline-2,4-diamine;1-N-(5-methyl-1H-pyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)isoquinoline-1,3-diamine is sourced from PubChem (CID 158932526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158932526 — identifiers, structure, computed properties (public domain)
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