1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

C17H24N4O2 — CID 111506190

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCc1cccc2nc(CNC(=O)NC3CCCC3(C)CO)cn12
InChIInChI=1S/C17H24N4O2/c1-12-5-3-7-15-19-13(10-21(12)15)9-18-16(23)20-14-6-4-8-17(14,2)11-22/h3,5,7,10,14,22H,4,6,8-9,11H2,1-2H3,(H2,18,20,23)
InChIKeyXYLKLOPBAXTBHD-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.99
Rot. Bonds4

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (PubChem CID 111506190) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
PubChem CID111506190
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCc1cccc2nc(CNC(=O)NC3CCCC3(C)CO)cn12
InChIInChI=1S/C17H24N4O2/c1-12-5-3-7-15-19-13(10-21(12)15)9-18-16(23)20-14-6-4-8-17(14,2)11-22/h3,5,7,10,14,22H,4,6,8-9,11H2,1-2H3,(H2,18,20,23)
InChIKeyXYLKLOPBAXTBHD-UHFFFAOYSA-N
XLogP1.99
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-Hydroxycyclohexyl)-7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one
CID 155555885
3,3-dimethyl-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]butanamide
CID 3242115
6-(Imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 5310449
9-(4-Hydroxycyclohexyl)-7-methyl-2-[(5-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one
CID 155545258
(E)-3-[2-tert-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 11951280
(E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24950731
(E)-3-[2-tert-butyl-3-(ethylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24951054
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]acetamide
CID 71925283
2-cyclopentyl-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 3240750
2-cyclopentyl-N-(2-(imidazo[1,2-a]pyridin-2-yl)ethyl)acetamide
CID 4448969
4-[(6-Pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol
CID 11232118
N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
CID 58617106

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (CID 111506190) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is Cc1cccc2nc(CNC(=O)NC3CCCC3(C)CO)cn12.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The InChIKey is XYLKLOPBAXTBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-5-3-7-15-19-13(10-21(12)15)9-18-16(23)20-14-6-4-8-17(14,2)11-22/h3,5,7,10,14,22H,4,6,8-9,11H2,1-2H3,(H2,18,20,23).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea has a molecular weight of 316.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is sourced from PubChem (CID 111506190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).