1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea

C17H22FN5O2 — CID 162725760

IUPAC1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea
SMILESCCCN(C(=O)N=O)c1nn(C)c2c(F)c(C3CCNCC3)ccc12
InChIInChI=1S/C17H22FN5O2/c1-3-10-23(17(24)21-25)16-13-5-4-12(11-6-8-19-9-7-11)14(18)15(13)22(2)20-16/h4-5,11,19H,3,6-10H2,1-2H3
InChIKeyRMKKZBIOBMZFEI-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.28
Rot. Bonds4

About 1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea

1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea (PubChem CID 162725760) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea.

Molecular Properties

Compound Name1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea
PubChem CID162725760
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea
SMILESCCCN(C(=O)N=O)c1nn(C)c2c(F)c(C3CCNCC3)ccc12
InChIInChI=1S/C17H22FN5O2/c1-3-10-23(17(24)21-25)16-13-5-4-12(11-6-8-19-9-7-11)14(18)15(13)22(2)20-16/h4-5,11,19H,3,6-10H2,1-2H3
InChIKeyRMKKZBIOBMZFEI-UHFFFAOYSA-N
XLogP3.28
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea?
The IUPAC name of 1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea (CID 162725760) is 1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea.
What is the SMILES notation for 1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea?
The canonical SMILES for 1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea is CCCN(C(=O)N=O)c1nn(C)c2c(F)c(C3CCNCC3)ccc12.
What is the InChIKey of 1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea?
The InChIKey is RMKKZBIOBMZFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-3-10-23(17(24)21-25)16-13-5-4-12(11-6-8-19-9-7-11)14(18)15(13)22(2)20-16/h4-5,11,19H,3,6-10H2,1-2H3.
What are the key properties of 1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea?
1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea has a molecular weight of 347.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)-3-oxo-1-propylurea is sourced from PubChem (CID 162725760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).