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

C16H21N5O — CID 129341249

IUPAC1-methyl-3-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1ccncc1NC(=O)N(C)C[C@@H]1CCc2nccn2C1
InChIInChI=1S/C16H21N5O/c1-12-5-6-17-9-14(12)19-16(22)20(2)10-13-3-4-15-18-7-8-21(15)11-13/h5-9,13H,3-4,10-11H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyYNWZPXKLGTWMGI-ZDUSSCGKSA-N
MW299.38 g/mol
LogP2.31
Rot. Bonds3

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

1-methyl-3-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 129341249) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID129341249
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-methyl-3-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1ccncc1NC(=O)N(C)C[C@@H]1CCc2nccn2C1
InChIInChI=1S/C16H21N5O/c1-12-5-6-17-9-14(12)19-16(22)20(2)10-13-3-4-15-18-7-8-21(15)11-13/h5-9,13H,3-4,10-11H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyYNWZPXKLGTWMGI-ZDUSSCGKSA-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-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 1-methyl-3-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 129341249) is 1-methyl-3-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is Cc1ccncc1NC(=O)N(C)C[C@@H]1CCc2nccn2C1.
What is the InChIKey of 1-methyl-3-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is YNWZPXKLGTWMGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-5-6-17-9-14(12)19-16(22)20(2)10-13-3-4-15-18-7-8-21(15)11-13/h5-9,13H,3-4,10-11H2,1-2H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 1-methyl-3-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-methyl-3-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-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-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 129341249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).