5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

C27H23FN6O2 — CID 89450425

IUPAC5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(Oc5ccccc5F)nc4)c3c2)c1
InChIInChI=1S/C27H23FN6O2/c1-34(2)16-17-11-19(14-29-13-17)18-7-9-23-21(12-18)26(33-32-23)27(35)31-20-8-10-25(30-15-20)36-24-6-4-3-5-22(24)28/h3-15H,16H2,1-2H3,(H,31,35)(H,32,33)
InChIKeyCQKVNJKZGHSHAL-UHFFFAOYSA-N
MW482.52 g/mol
LogP5.27
Rot. Bonds7

About 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450425) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450425
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(Oc5ccccc5F)nc4)c3c2)c1
InChIInChI=1S/C27H23FN6O2/c1-34(2)16-17-11-19(14-29-13-17)18-7-9-23-21(12-18)26(33-32-23)27(35)31-20-8-10-25(30-15-20)36-24-6-4-3-5-22(24)28/h3-15H,16H2,1-2H3,(H,31,35)(H,32,33)
InChIKeyCQKVNJKZGHSHAL-UHFFFAOYSA-N
XLogP5.27
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450425) is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(Oc5ccccc5F)nc4)c3c2)c1.
What is the InChIKey of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is CQKVNJKZGHSHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c1-34(2)16-17-11-19(14-29-13-17)18-7-9-23-21(12-18)26(33-32-23)27(35)31-20-8-10-25(30-15-20)36-24-6-4-3-5-22(24)28/h3-15H,16H2,1-2H3,(H,31,35)(H,32,33).
What are the key properties of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).