About 6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 175615917) has the molecular formula C28H25FN4O2
and a molecular weight of 468.53 g/mol. Its IUPAC name is 6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
Molecular Properties
| Compound Name | 6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one |
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| PubChem CID | 175615917 |
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| Molecular Formula | C28H25FN4O2 |
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| Molecular Weight | 468.53 g/mol |
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| Exact Mass | 468.20 |
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| IUPAC Name | 6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one |
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| SMILES | Cn1cc2c(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(C4CC4)c3)ccc(OC3CC3)c2n1 |
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| InChI | InChI=1S/C28H25FN4O2/c1-32-13-23-19(8-9-26(27(23)31-32)35-18-6-7-18)17-11-21(16-4-5-16)22(24(29)12-17)14-33-15-25-20(28(33)34)3-2-10-30-25/h2-3,8-13,16,18H,4-7,14-15H2,1H3 |
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| InChIKey | ULDFOTRGKKAUQG-UHFFFAOYSA-N |
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| XLogP | 5.35 |
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| TPSA | 60.25 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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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
1 violation
| Rule | Value |
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| MW ≤ 500 | 468.53 |
| LogP ≤ 5 | 5.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 175615917) is 6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cn1cc2c(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(C4CC4)c3)ccc(OC3CC3)c2n1.
What is the InChIKey of 6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is ULDFOTRGKKAUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2/c1-32-13-23-19(8-9-26(27(23)31-32)35-18-6-7-18)17-11-21(16-4-5-16)22(24(29)12-17)14-33-15-25-20(28(33)34)3-2-10-30-25/h2-3,8-13,16,18H,4-7,14-15H2,1H3.
What are the key properties of 6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 468.53 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 175615917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).