N-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide

C19H17FN4O2 — CID 90864787

IUPACN-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide
SMILESCOc1ccc(C=Cc2[nH]nc3c(F)cc(NC(=O)C4CC4)cc23)cn1
InChIInChI=1S/C19H17FN4O2/c1-26-17-7-3-11(10-21-17)2-6-16-14-8-13(22-19(25)12-4-5-12)9-15(20)18(14)24-23-16/h2-3,6-10,12H,4-5H2,1H3,(H,22,25)(H,23,24)
InChIKeyPKBXYNGNWGJJHK-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.62
Rot. Bonds5

About N-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide

N-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide (PubChem CID 90864787) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide
PubChem CID90864787
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide
SMILESCOc1ccc(C=Cc2[nH]nc3c(F)cc(NC(=O)C4CC4)cc23)cn1
InChIInChI=1S/C19H17FN4O2/c1-26-17-7-3-11(10-21-17)2-6-16-14-8-13(22-19(25)12-4-5-12)9-15(20)18(14)24-23-16/h2-3,6-10,12H,4-5H2,1H3,(H,22,25)(H,23,24)
InChIKeyPKBXYNGNWGJJHK-UHFFFAOYSA-N
XLogP3.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide (CID 90864787) is N-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide is COc1ccc(C=Cc2[nH]nc3c(F)cc(NC(=O)C4CC4)cc23)cn1.
What is the InChIKey of N-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide?
The InChIKey is PKBXYNGNWGJJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-26-17-7-3-11(10-21-17)2-6-16-14-8-13(22-19(25)12-4-5-12)9-15(20)18(14)24-23-16/h2-3,6-10,12H,4-5H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide?
N-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-fluoro-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 90864787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).