1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea

C16H21N5O — CID 129329759

IUPAC1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
SMILESCc1ccnc(NC(=O)N(C)C[C@@H]2CCn3ccnc3C2)c1
InChIInChI=1S/C16H21N5O/c1-12-3-5-17-14(9-12)19-16(22)20(2)11-13-4-7-21-8-6-18-15(21)10-13/h3,5-6,8-9,13H,4,7,10-11H2,1-2H3,(H,17,19,22)/t13-/m1/s1
InChIKeyGMZKWYVITHSGLK-CYBMUJFWSA-N
MW299.38 g/mol
LogP2.31
Rot. Bonds3

About 1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea

1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea (PubChem CID 129329759) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
PubChem CID129329759
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
SMILESCc1ccnc(NC(=O)N(C)C[C@@H]2CCn3ccnc3C2)c1
InChIInChI=1S/C16H21N5O/c1-12-3-5-17-14(9-12)19-16(22)20(2)11-13-4-7-21-8-6-18-15(21)10-13/h3,5-6,8-9,13H,4,7,10-11H2,1-2H3,(H,17,19,22)/t13-/m1/s1
InChIKeyGMZKWYVITHSGLK-CYBMUJFWSA-N
XLogP2.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
The IUPAC name of 1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea (CID 129329759) is 1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea is Cc1ccnc(NC(=O)N(C)C[C@@H]2CCn3ccnc3C2)c1.
What is the InChIKey of 1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
The InChIKey is GMZKWYVITHSGLK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-3-5-17-14(9-12)19-16(22)20(2)11-13-4-7-21-8-6-18-15(21)10-13/h3,5-6,8-9,13H,4,7,10-11H2,1-2H3,(H,17,19,22)/t13-/m1/s1.
What are the key properties of 1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea has a molecular weight of 299.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-2-pyridinyl)-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea is sourced from PubChem (CID 129329759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).