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

C15H19N5O — CID 129333293

IUPAC1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
SMILESCc1cc(NC(=O)NC[C@H]2CCn3ccnc3C2)ccn1
InChIInChI=1S/C15H19N5O/c1-11-8-13(2-4-16-11)19-15(21)18-10-12-3-6-20-7-5-17-14(20)9-12/h2,4-5,7-8,12H,3,6,9-10H2,1H3,(H2,16,18,19,21)/t12-/m0/s1
InChIKeyMCYKJHYSZIAZCD-LBPRGKRZSA-N
MW285.35 g/mol
LogP1.97
Rot. Bonds3

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

1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea (PubChem CID 129333293) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
PubChem CID129333293
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
SMILESCc1cc(NC(=O)NC[C@H]2CCn3ccnc3C2)ccn1
InChIInChI=1S/C15H19N5O/c1-11-8-13(2-4-16-11)19-15(21)18-10-12-3-6-20-7-5-17-14(20)9-12/h2,4-5,7-8,12H,3,6,9-10H2,1H3,(H2,16,18,19,21)/t12-/m0/s1
InChIKeyMCYKJHYSZIAZCD-LBPRGKRZSA-N
XLogP1.97
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
The IUPAC name of 1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea (CID 129333293) is 1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea is Cc1cc(NC(=O)NC[C@H]2CCn3ccnc3C2)ccn1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
The InChIKey is MCYKJHYSZIAZCD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-8-13(2-4-16-11)19-15(21)18-10-12-3-6-20-7-5-17-14(20)9-12/h2,4-5,7-8,12H,3,6,9-10H2,1H3,(H2,16,18,19,21)/t12-/m0/s1.
What are the key properties of 1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea?
1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea has a molecular weight of 285.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)-3-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea is sourced from PubChem (CID 129333293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).