N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C20H19FN4O2 — CID 126772649

About N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 126772649) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
• PubChem CID: 126772649
• Molecular Formula: C20H19FN4O2
• Molecular Weight: 366.40 g/mol
• Exact Mass: 366.15
• IUPAC Name: N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
• SMILES: O=C(NCc1ccc(Oc2cccnc2)c(F)c1)C1CCCc2[nH]ncc21
• InChI: InChI=1S/C20H19FN4O2/c21-17-9-13(6-7-19(17)27-14-3-2-8-22-11-14)10-23-20(26)15-4-1-5-18-16(15)12-24-25-18/h2-3,6-9,11-12,15H,1,4-5,10H2,(H,23,26)(H,24,25)
• InChIKey: YZQLDJAKEDXRTH-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.40
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?

The IUPAC name of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 126772649) is N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

What is the SMILES notation for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?

The canonical SMILES for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is O=C(NCc1ccc(Oc2cccnc2)c(F)c1)C1CCCc2[nH]ncc21.

What is the InChIKey of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?

The InChIKey is YZQLDJAKEDXRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-17-9-13(6-7-19(17)27-14-3-2-8-22-11-14)10-23-20(26)15-4-1-5-18-16(15)12-24-25-18/h2-3,6-9,11-12,15H,1,4-5,10H2,(H,23,26)(H,24,25).

What are the key properties of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?

N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 126772649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).