1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea

C20H22N6O — CID 166191482

IUPAC1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea
SMILESCC(C)n1ncc2cc(NC(=O)NCCc3ccc4cn[nH]c4c3)ccc21
InChIInChI=1S/C20H22N6O/c1-13(2)26-19-6-5-17(10-16(19)12-23-26)24-20(27)21-8-7-14-3-4-15-11-22-25-18(15)9-14/h3-6,9-13H,7-8H2,1-2H3,(H,22,25)(H2,21,24,27)
InChIKeyIMCCYRFYKHIVNQ-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.86
Rot. Bonds5

About 1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea

1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea (PubChem CID 166191482) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea
PubChem CID166191482
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea
SMILESCC(C)n1ncc2cc(NC(=O)NCCc3ccc4cn[nH]c4c3)ccc21
InChIInChI=1S/C20H22N6O/c1-13(2)26-19-6-5-17(10-16(19)12-23-26)24-20(27)21-8-7-14-3-4-15-11-22-25-18(15)9-14/h3-6,9-13H,7-8H2,1-2H3,(H,22,25)(H2,21,24,27)
InChIKeyIMCCYRFYKHIVNQ-UHFFFAOYSA-N
XLogP3.86
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea?
The IUPAC name of 1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea (CID 166191482) is 1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea.
What is the SMILES notation for 1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea?
The canonical SMILES for 1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea is CC(C)n1ncc2cc(NC(=O)NCCc3ccc4cn[nH]c4c3)ccc21.
What is the InChIKey of 1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea?
The InChIKey is IMCCYRFYKHIVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13(2)26-19-6-5-17(10-16(19)12-23-26)24-20(27)21-8-7-14-3-4-15-11-22-25-18(15)9-14/h3-6,9-13H,7-8H2,1-2H3,(H,22,25)(H2,21,24,27).
What are the key properties of 1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea?
1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea has a molecular weight of 362.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indazol-6-yl)ethyl]-3-(1-propan-2-ylindazol-5-yl)urea is sourced from PubChem (CID 166191482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).