1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea

C18H20N4O2 — CID 69070012

IUPAC1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea
SMILESCOc1ccc(-c2ccc3c(NC(=O)NC(C)C)n[nH]c3c2)cc1
InChIInChI=1S/C18H20N4O2/c1-11(2)19-18(23)20-17-15-9-6-13(10-16(15)21-22-17)12-4-7-14(24-3)8-5-12/h4-11H,1-3H3,(H3,19,20,21,22,23)
InChIKeyZVTXMSNTFADFSQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.77
Rot. Bonds4

About 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea

1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea (PubChem CID 69070012) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea
PubChem CID69070012
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea
SMILESCOc1ccc(-c2ccc3c(NC(=O)NC(C)C)n[nH]c3c2)cc1
InChIInChI=1S/C18H20N4O2/c1-11(2)19-18(23)20-17-15-9-6-13(10-16(15)21-22-17)12-4-7-14(24-3)8-5-12/h4-11H,1-3H3,(H3,19,20,21,22,23)
InChIKeyZVTXMSNTFADFSQ-UHFFFAOYSA-N
XLogP3.77
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-3-[6-(4-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69061513
1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69067411
4-hydroxy-N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]piperidine-1-carboxamide
CID 69061015
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065277
N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide
CID 69069520
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
6-(4-methoxyphenyl)-1H-indazol-3-amine
CID 11564957
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519
N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 69062932
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide
CID 69091931
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea (CID 69070012) is 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea is COc1ccc(-c2ccc3c(NC(=O)NC(C)C)n[nH]c3c2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea?
The InChIKey is ZVTXMSNTFADFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11(2)19-18(23)20-17-15-9-6-13(10-16(15)21-22-17)12-4-7-14(24-3)8-5-12/h4-11H,1-3H3,(H3,19,20,21,22,23).
What are the key properties of 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea?
1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea has a molecular weight of 324.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 69070012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).