5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide

C27H26FN5O3 — CID 155318050

IUPAC5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide
SMILESCOCC(C)(C)c1c(-c2ccc(C(N)=O)nc2OC)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C27H26FN5O3/c1-27(2,14-35-3)24-23(18-9-10-20(25(29)34)31-26(18)36-4)19-12-21-15(13-30-32-21)11-22(19)33(24)17-7-5-16(28)6-8-17/h5-13H,14H2,1-4H3,(H2,29,34)(H,30,32)
InChIKeyKHCCWMDRINLFNQ-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.74
Rot. Bonds7

About 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide

5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide (PubChem CID 155318050) has the molecular formula C27H26FN5O3 and a molecular weight of 487.54 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide
PubChem CID155318050
Molecular FormulaC27H26FN5O3
Molecular Weight487.54 g/mol
Exact Mass487.20
IUPAC Name5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide
SMILESCOCC(C)(C)c1c(-c2ccc(C(N)=O)nc2OC)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C27H26FN5O3/c1-27(2,14-35-3)24-23(18-9-10-20(25(29)34)31-26(18)36-4)19-12-21-15(13-30-32-21)11-22(19)33(24)17-7-5-16(28)6-8-17/h5-13H,14H2,1-4H3,(H2,29,34)(H,30,32)
InChIKeyKHCCWMDRINLFNQ-UHFFFAOYSA-N
XLogP4.74
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide?
The IUPAC name of 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide (CID 155318050) is 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide?
The canonical SMILES for 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide is COCC(C)(C)c1c(-c2ccc(C(N)=O)nc2OC)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide?
The InChIKey is KHCCWMDRINLFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O3/c1-27(2,14-35-3)24-23(18-9-10-20(25(29)34)31-26(18)36-4)19-12-21-15(13-30-32-21)11-22(19)33(24)17-7-5-16(28)6-8-17/h5-13H,14H2,1-4H3,(H2,29,34)(H,30,32).
What are the key properties of 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide?
5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide is sourced from PubChem (CID 155318050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).