N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
C84H75N21O5 — CID 159037811
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
SMILESCN(C(=O)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CC1.COCCNC(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccccc1Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.O=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCC1
InChIInChI=1S/C22H17N5O.C22H21N5O.C20H18N6O.C20H19N5O2/c1-14-5-2-3-7-19(14)28-22-17-9-8-16(13-15(17)10-12-24-22)25-21-20-18(26-27-21)6-4-11-23-20;28-22(27-12-2-1-3-13-27)18-7-4-6-15-14-16(9-10-17(15)18)24-21-20-19(25-26-21)8-5-11-23-20;1-26(14-5-6-14)20(27)17-15-7-4-13(11-12(15)8-10-22-17)23-19-18-16(24-25-19)3-2-9-21-18;1-27-11-10-22-20(26)16-5-2-4-13-12-14(7-8-15(13)16)23-19-18-17(24-25-19)6-3-9-21-18/h2-13H,1H3,(H2,25,26,27);4-11,14H,1-3,12-13H2,(H2,24,25,26);2-4,7-11,14H,5-6H2,1H3,(H2,23,24,25);2-9,12H,10-11H2,1H3,(H,22,26)(H2,23,24,25)
InChIKeyJVRCEMWGEAYVDA-UHFFFAOYSA-N
MW1458.67 g/mol
LogP16.55
Rot. Bonds17
About N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone (PubChem CID 159037811) has the molecular formula C84H75N21O5 and a molecular weight of 1458.67 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone.
Molecular Properties
| Compound Name | N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone |
|---|---|
| PubChem CID | 159037811 |
| Molecular Formula | C84H75N21O5 |
| Molecular Weight | 1458.67 g/mol |
| Exact Mass | 1457.63 |
| IUPAC Name | N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone |
| SMILES | CN(C(=O)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CC1.COCCNC(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccccc1Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.O=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCC1 |
| InChI | InChI=1S/C22H17N5O.C22H21N5O.C20H18N6O.C20H19N5O2/c1-14-5-2-3-7-19(14)28-22-17-9-8-16(13-15(17)10-12-24-22)25-21-20-18(26-27-21)6-4-11-23-20;28-22(27-12-2-1-3-13-27)18-7-4-6-15-14-16(9-10-17(15)18)24-21-20-19(25-26-21)8-5-11-23-20;1-26(14-5-6-14)20(27)17-15-7-4-13(11-12(15)8-10-22-17)23-19-18-16(24-25-19)3-2-9-21-18;1-27-11-10-22-20(26)16-5-2-4-13-12-14(7-8-15(13)16)23-19-18-17(24-25-19)6-3-9-21-18/h2-13H,1H3,(H2,25,26,27);4-11,14H,1-3,12-13H2,(H2,24,25,26);2-4,7-11,14H,5-6H2,1H3,(H2,23,24,25);2-9,12H,10-11H2,1H3,(H,22,26)(H2,23,24,25) |
| InChIKey | JVRCEMWGEAYVDA-UHFFFAOYSA-N |
| XLogP | 16.55 |
| TPSA | 328.36 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 110 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1458.67 |
| LogP ≤ 5 | 16.55 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 19 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
The IUPAC name of N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone (CID 159037811) is N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone.
What is the SMILES notation for N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
The canonical SMILES for N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone is CN(C(=O)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CC1.COCCNC(=O)c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1ccccc1Oc1nccc2cc(Nc3n[nH]c4cccnc34)ccc12.O=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCC1.
What is the InChIKey of N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
The InChIKey is JVRCEMWGEAYVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O.C22H21N5O.C20H18N6O.C20H19N5O2/c1-14-5-2-3-7-19(14)28-22-17-9-8-16(13-15(17)10-12-24-22)25-21-20-18(26-27-21)6-4-11-23-20;28-22(27-12-2-1-3-13-27)18-7-4-6-15-14-16(9-10-17(15)18)24-21-20-19(25-26-21)8-5-11-23-20;1-26(14-5-6-14)20(27)17-15-7-4-13(11-12(15)8-10-22-17)23-19-18-16(24-25-19)3-2-9-21-18;1-27-11-10-22-20(26)16-5-2-4-13-12-14(7-8-15(13)16)23-19-18-17(24-25-19)6-3-9-21-18/h2-13H,1H3,(H2,25,26,27);4-11,14H,1-3,12-13H2,(H2,24,25,26);2-4,7-11,14H,5-6H2,1H3,(H2,23,24,25);2-9,12H,10-11H2,1H3,(H,22,26)(H2,23,24,25).
What are the key properties of N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone has a molecular weight of 1458.67 g/mol, XLogP of 16.55, 17 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide;N-(2-methoxyethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carboxamide;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone is sourced from PubChem (CID 159037811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159037811 — identifiers, structure, computed properties (public domain)
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