2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
C32H33N11O2S — CID 154961262
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cc(-c2n[nH]c3ccc(N4CCC5(CCN(CC(=O)N6CC=C(c7ncc(-c8ncn(C)n8)s7)CC6)C5)C4=O)nc23)ccn1
InChIInChI=1S/C32H33N11O2S/c1-20-15-22(5-10-33-20)27-28-23(37-38-27)3-4-25(36-28)43-14-9-32(31(43)45)8-13-41(18-32)17-26(44)42-11-6-21(7-12-42)30-34-16-24(46-30)29-35-19-40(2)39-29/h3-6,10,15-16,19H,7-9,11-14,17-18H2,1-2H3,(H,37,38)
InChIKeyYLSRZNAHNMXOHU-UHFFFAOYSA-N
MW635.76 g/mol
LogP3.33
Rot. Bonds6
About 2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 154961262) has the molecular formula C32H33N11O2S and a molecular weight of 635.76 g/mol. Its IUPAC name is 2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one.
Molecular Properties
| Compound Name | 2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one |
|---|---|
| PubChem CID | 154961262 |
| Molecular Formula | C32H33N11O2S |
| Molecular Weight | 635.76 g/mol |
| Exact Mass | 635.25 |
| IUPAC Name | 2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one |
| SMILES | Cc1cc(-c2n[nH]c3ccc(N4CCC5(CCN(CC(=O)N6CC=C(c7ncc(-c8ncn(C)n8)s7)CC6)C5)C4=O)nc23)ccn1 |
| InChI | InChI=1S/C32H33N11O2S/c1-20-15-22(5-10-33-20)27-28-23(37-38-27)3-4-25(36-28)43-14-9-32(31(43)45)8-13-41(18-32)17-26(44)42-11-6-21(7-12-42)30-34-16-24(46-30)29-35-19-40(2)39-29/h3-6,10,15-16,19H,7-9,11-14,17-18H2,1-2H3,(H,37,38) |
| InChIKey | YLSRZNAHNMXOHU-UHFFFAOYSA-N |
| XLogP | 3.33 |
| TPSA | 141.92 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 46 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 635.76 |
| LogP ≤ 5 | 3.33 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
Frequently Asked Questions
What is the IUPAC name of 2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 154961262) is 2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one is Cc1cc(-c2n[nH]c3ccc(N4CCC5(CCN(CC(=O)N6CC=C(c7ncc(-c8ncn(C)n8)s7)CC6)C5)C4=O)nc23)ccn1.
What is the InChIKey of 2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is YLSRZNAHNMXOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N11O2S/c1-20-15-22(5-10-33-20)27-28-23(37-38-27)3-4-25(36-28)43-14-9-32(31(43)45)8-13-41(18-32)17-26(44)42-11-6-21(7-12-42)30-34-16-24(46-30)29-35-19-40(2)39-29/h3-6,10,15-16,19H,7-9,11-14,17-18H2,1-2H3,(H,37,38).
What are the key properties of 2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?
2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 635.76 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 154961262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 154961262 — identifiers, structure, computed properties (public domain)
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