About [4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol
[4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol (PubChem CID 174729887) has the molecular formula C24H24F3N5O2S
and a molecular weight of 503.55 g/mol. Its IUPAC name is [4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol.
Molecular Properties
| Compound Name | [4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol |
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| PubChem CID | 174729887 |
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| Molecular Formula | C24H24F3N5O2S |
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| Molecular Weight | 503.55 g/mol |
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| Exact Mass | 503.16 |
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| IUPAC Name | [4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol |
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| SMILES | COc1ccc(-c2cc3c(Nc4cc(C(F)(F)F)c(NC(C)(C)C)cn4)c(CO)cnc3s2)cn1 |
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| InChI | InChI=1S/C24H24F3N5O2S/c1-23(2,3)32-17-11-28-19(8-16(17)24(25,26)27)31-21-14(12-33)10-30-22-15(21)7-18(35-22)13-5-6-20(34-4)29-9-13/h5-11,32-33H,12H2,1-4H3,(H,28,30,31) |
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| InChIKey | OLYWQJFICMXZGP-UHFFFAOYSA-N |
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| XLogP | 6.23 |
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| TPSA | 92.19 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 503.55 |
| LogP ≤ 5 | 6.23 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of [4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol?
The IUPAC name of [4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol (CID 174729887) is [4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol.
What is the SMILES notation for [4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol?
The canonical SMILES for [4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol is COc1ccc(-c2cc3c(Nc4cc(C(F)(F)F)c(NC(C)(C)C)cn4)c(CO)cnc3s2)cn1.
What is the InChIKey of [4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol?
The InChIKey is OLYWQJFICMXZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2S/c1-23(2,3)32-17-11-28-19(8-16(17)24(25,26)27)31-21-14(12-33)10-30-22-15(21)7-18(35-22)13-5-6-20(34-4)29-9-13/h5-11,32-33H,12H2,1-4H3,(H,28,30,31).
What are the key properties of [4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol?
[4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol has a molecular weight of 503.55 g/mol, XLogP of 6.23, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(tert-butylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-(6-methoxy-3-pyridinyl)thieno[2,3-b]pyridin-5-yl]methanol is sourced from PubChem (CID 174729887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).