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

C14H17N5O — CID 128995675

IUPAC1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
SMILESO=C(NCC1CCc2nccn2C1)Nc1ccncc1
InChIInChI=1S/C14H17N5O/c20-14(18-12-3-5-15-6-4-12)17-9-11-1-2-13-16-7-8-19(13)10-11/h3-8,11H,1-2,9-10H2,(H2,15,17,18,20)
InChIKeyQIZMMMCKFTXFLC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.66
Rot. Bonds3

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

1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea (PubChem CID 128995675) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea.

Molecular Properties

Compound Name1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
PubChem CID128995675
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
SMILESO=C(NCC1CCc2nccn2C1)Nc1ccncc1
InChIInChI=1S/C14H17N5O/c20-14(18-12-3-5-15-6-4-12)17-9-11-1-2-13-16-7-8-19(13)10-11/h3-8,11H,1-2,9-10H2,(H2,15,17,18,20)
InChIKeyQIZMMMCKFTXFLC-UHFFFAOYSA-N
XLogP1.66
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995677
1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129477594
4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid
CID 122020581
1-(1,5-dimethylpyrazol-3-yl)-3-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129340804
1-(4-methyl-1,2-oxazol-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129333685
1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea
CID 129473644
1-(2-ethoxyethyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995723
N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-5-carboxamide
CID 129472235
1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128994207
1-[(1-methoxycyclobutyl)methyl]-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129474764
1-[(1-methoxycyclobutyl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995732
1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 155949510

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea?
The IUPAC name of 1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea (CID 128995675) is 1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea.
What is the SMILES notation for 1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea?
The canonical SMILES for 1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea is O=C(NCC1CCc2nccn2C1)Nc1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea?
The InChIKey is QIZMMMCKFTXFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(18-12-3-5-15-6-4-12)17-9-11-1-2-13-16-7-8-19(13)10-11/h3-8,11H,1-2,9-10H2,(H2,15,17,18,20).
What are the key properties of 1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea?
1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea has a molecular weight of 271.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea is sourced from PubChem (CID 128995675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).