1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea

C18H24N4O3 — CID 127605403

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea
SMILESCc1ccc(NC(=O)NC2CCOC3(CCOCC3)C2)c2[nH]ncc12
InChIInChI=1S/C18H24N4O3/c1-12-2-3-15(16-14(12)11-19-22-16)21-17(23)20-13-4-7-25-18(10-13)5-8-24-9-6-18/h2-3,11,13H,4-10H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyQDXFFYQKQJIIFR-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.72
Rot. Bonds2

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea (PubChem CID 127605403) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea
PubChem CID127605403
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea
SMILESCc1ccc(NC(=O)NC2CCOC3(CCOCC3)C2)c2[nH]ncc12
InChIInChI=1S/C18H24N4O3/c1-12-2-3-15(16-14(12)11-19-22-16)21-17(23)20-13-4-7-25-18(10-13)5-8-24-9-6-18/h2-3,11,13H,4-10H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyQDXFFYQKQJIIFR-UHFFFAOYSA-N
XLogP2.72
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-3-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]urea
CID 97255707
4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122080014
1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea
CID 72905707
1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea
CID 96579890
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea
CID 127601692
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide
CID 77087174
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide
CID 129345943
1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124617715
2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide
CID 166196304
1-(5-acetyl-2-methylphenyl)-3-(2,2-dimethyloxan-4-yl)urea
CID 143698513
N-(4-methyl-1H-indazol-7-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119307375
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,9-dioxaspiro[5.5]undecan-4-yl)urea
CID 128676663

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea (CID 127605403) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea is Cc1ccc(NC(=O)NC2CCOC3(CCOCC3)C2)c2[nH]ncc12.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea?
The InChIKey is QDXFFYQKQJIIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-2-3-15(16-14(12)11-19-22-16)21-17(23)20-13-4-7-25-18(10-13)5-8-24-9-6-18/h2-3,11,13H,4-10H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea has a molecular weight of 344.42 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea is sourced from PubChem (CID 127605403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).