4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine

C19H16N4O — CID 139409540

IUPAC4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine
SMILESc1ccc(COc2cccc3[nH]nc(Nc4cccnc4)c23)cc1
InChIInChI=1S/C19H16N4O/c1-2-6-14(7-3-1)13-24-17-10-4-9-16-18(17)19(23-22-16)21-15-8-5-11-20-12-15/h1-12H,13H2,(H2,21,22,23)
InChIKeyMEORNAXBWGNOSM-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.28
Rot. Bonds5

About 4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine

4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine (PubChem CID 139409540) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine.

Molecular Properties

Compound Name4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine
PubChem CID139409540
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine
SMILESc1ccc(COc2cccc3[nH]nc(Nc4cccnc4)c23)cc1
InChIInChI=1S/C19H16N4O/c1-2-6-14(7-3-1)13-24-17-10-4-9-16-18(17)19(23-22-16)21-15-8-5-11-20-12-15/h1-12H,13H2,(H2,21,22,23)
InChIKeyMEORNAXBWGNOSM-UHFFFAOYSA-N
XLogP4.28
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine?
The IUPAC name of 4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine (CID 139409540) is 4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine.
What is the SMILES notation for 4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine?
The canonical SMILES for 4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine is c1ccc(COc2cccc3[nH]nc(Nc4cccnc4)c23)cc1.
What is the InChIKey of 4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine?
The InChIKey is MEORNAXBWGNOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-6-14(7-3-1)13-24-17-10-4-9-16-18(17)19(23-22-16)21-15-8-5-11-20-12-15/h1-12H,13H2,(H2,21,22,23).
What are the key properties of 4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine?
4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine has a molecular weight of 316.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-pyridin-3-yl-1H-indazol-3-amine is sourced from PubChem (CID 139409540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).