1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine

C20H18N4O — CID 139409541

IUPAC1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine
SMILESCn1nc(Nc2cccnc2)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C20H18N4O/c1-24-17-10-5-11-18(25-14-15-7-3-2-4-8-15)19(17)20(23-24)22-16-9-6-12-21-13-16/h2-13H,14H2,1H3,(H,22,23)
InChIKeyKWKPBIRBGXPWEX-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.29
Rot. Bonds5

About 1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine

1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine (PubChem CID 139409541) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine.

Molecular Properties

Compound Name1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine
PubChem CID139409541
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine
SMILESCn1nc(Nc2cccnc2)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C20H18N4O/c1-24-17-10-5-11-18(25-14-15-7-3-2-4-8-15)19(17)20(23-24)22-16-9-6-12-21-13-16/h2-13H,14H2,1H3,(H,22,23)
InChIKeyKWKPBIRBGXPWEX-UHFFFAOYSA-N
XLogP4.29
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine?
The IUPAC name of 1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine (CID 139409541) is 1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine.
What is the SMILES notation for 1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine?
The canonical SMILES for 1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine is Cn1nc(Nc2cccnc2)c2c(OCc3ccccc3)cccc21.
What is the InChIKey of 1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine?
The InChIKey is KWKPBIRBGXPWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-24-17-10-5-11-18(25-14-15-7-3-2-4-8-15)19(17)20(23-24)22-16-9-6-12-21-13-16/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of 1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine?
1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine has a molecular weight of 330.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylmethoxy-N-pyridin-3-ylindazol-3-amine is sourced from PubChem (CID 139409541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).