5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide

C19H17F2N5O2 — CID 46226063

IUPAC5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide
SMILESCN1CC(C(=O)Nc2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2F)C1
InChIInChI=1S/C19H17F2N5O2/c1-25-7-11(8-25)19(28)23-16-3-2-13(6-15(16)21)26-9-10-4-12(20)5-14(18(22)27)17(10)24-26/h2-6,9,11H,7-8H2,1H3,(H2,22,27)(H,23,28)
InChIKeyNYKJRMYPHXXYDN-UHFFFAOYSA-N
MW385.37 g/mol
LogP1.90
Rot. Bonds4

About 5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide

5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide (PubChem CID 46226063) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is 5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide
PubChem CID46226063
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide
SMILESCN1CC(C(=O)Nc2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2F)C1
InChIInChI=1S/C19H17F2N5O2/c1-25-7-11(8-25)19(28)23-16-3-2-13(6-15(16)21)26-9-10-4-12(20)5-14(18(22)27)17(10)24-26/h2-6,9,11H,7-8H2,1H3,(H2,22,27)(H,23,28)
InChIKeyNYKJRMYPHXXYDN-UHFFFAOYSA-N
XLogP1.90
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide?
The IUPAC name of 5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide (CID 46226063) is 5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide?
The canonical SMILES for 5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide is CN1CC(C(=O)Nc2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2F)C1.
What is the InChIKey of 5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide?
The InChIKey is NYKJRMYPHXXYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c1-25-7-11(8-25)19(28)23-16-3-2-13(6-15(16)21)26-9-10-4-12(20)5-14(18(22)27)17(10)24-26/h2-6,9,11H,7-8H2,1H3,(H2,22,27)(H,23,28).
What are the key properties of 5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide?
5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-fluoro-4-[(1-methylazetidine-3-carbonyl)amino]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).