1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea

C20H24N4O2 — CID 58135514

IUPAC1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1n[nH]c2cc(-c3ccccc3OC)ccc12
InChIInChI=1S/C20H24N4O2/c1-4-14(5-2)21-20(25)22-19-16-11-10-13(12-17(16)23-24-19)15-8-6-7-9-18(15)26-3/h6-12,14H,4-5H2,1-3H3,(H3,21,22,23,24,25)
InChIKeyKRPRKUFKSGVGME-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.55
Rot. Bonds6

About 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea

1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea (PubChem CID 58135514) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea
PubChem CID58135514
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1n[nH]c2cc(-c3ccccc3OC)ccc12
InChIInChI=1S/C20H24N4O2/c1-4-14(5-2)21-20(25)22-19-16-11-10-13(12-17(16)23-24-19)15-8-6-7-9-18(15)26-3/h6-12,14H,4-5H2,1-3H3,(H3,21,22,23,24,25)
InChIKeyKRPRKUFKSGVGME-UHFFFAOYSA-N
XLogP4.55
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea?
The IUPAC name of 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea (CID 58135514) is 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea.
What is the SMILES notation for 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea?
The canonical SMILES for 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea is CCC(CC)NC(=O)Nc1n[nH]c2cc(-c3ccccc3OC)ccc12.
What is the InChIKey of 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea?
The InChIKey is KRPRKUFKSGVGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-4-14(5-2)21-20(25)22-19-16-11-10-13(12-17(16)23-24-19)15-8-6-7-9-18(15)26-3/h6-12,14H,4-5H2,1-3H3,(H3,21,22,23,24,25).
What are the key properties of 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea?
1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea has a molecular weight of 352.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea is sourced from PubChem (CID 58135514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).