1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea

C13H18N6O — CID 128994825

IUPAC1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea
SMILESCn1nccc1NC(=O)NCC1CCn2ccnc2C1
InChIInChI=1S/C13H18N6O/c1-18-11(2-4-16-18)17-13(20)15-9-10-3-6-19-7-5-14-12(19)8-10/h2,4-5,7,10H,3,6,8-9H2,1H3,(H2,15,17,20)
InChIKeyHFTKUDQEMBMOMO-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.00
Rot. Bonds3

About 1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea

1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea (PubChem CID 128994825) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea
PubChem CID128994825
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea
SMILESCn1nccc1NC(=O)NCC1CCn2ccnc2C1
InChIInChI=1S/C13H18N6O/c1-18-11(2-4-16-18)17-13(20)15-9-10-3-6-19-7-5-14-12(19)8-10/h2,4-5,7,10H,3,6,8-9H2,1H3,(H2,15,17,20)
InChIKeyHFTKUDQEMBMOMO-UHFFFAOYSA-N
XLogP1.00
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea (CID 128994825) is 1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea is Cn1nccc1NC(=O)NCC1CCn2ccnc2C1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea?
The InChIKey is HFTKUDQEMBMOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-18-11(2-4-16-18)17-13(20)15-9-10-3-6-19-7-5-14-12(19)8-10/h2,4-5,7,10H,3,6,8-9H2,1H3,(H2,15,17,20).
What are the key properties of 1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea?
1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea has a molecular weight of 274.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea is sourced from PubChem (CID 128994825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).