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

C15H19N5O — CID 154794651

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea
SMILESCc1ccncc1NC(=O)NCC1CCn2ccnc2C1
InChIInChI=1S/C15H19N5O/c1-11-2-4-16-10-13(11)19-15(21)18-9-12-3-6-20-7-5-17-14(20)8-12/h2,4-5,7,10,12H,3,6,8-9H2,1H3,(H2,18,19,21)
InChIKeyPWWSOFXYQFAZJA-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.97
Rot. Bonds3

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

1-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea (PubChem CID 154794651) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea
PubChem CID154794651
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea
SMILESCc1ccncc1NC(=O)NCC1CCn2ccnc2C1
InChIInChI=1S/C15H19N5O/c1-11-2-4-16-10-13(11)19-15(21)18-9-12-3-6-20-7-5-17-14(20)8-12/h2,4-5,7,10,12H,3,6,8-9H2,1H3,(H2,18,19,21)
InChIKeyPWWSOFXYQFAZJA-UHFFFAOYSA-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-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea (CID 154794651) is 1-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea is Cc1ccncc1NC(=O)NCC1CCn2ccnc2C1.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea?
The InChIKey is PWWSOFXYQFAZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-2-4-16-10-13(11)19-15(21)18-9-12-3-6-20-7-5-17-14(20)8-12/h2,4-5,7,10,12H,3,6,8-9H2,1H3,(H2,18,19,21).
What are the key properties of 1-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea?
1-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)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-(4-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)urea is sourced from PubChem (CID 154794651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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