[5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol

C17H18N4O2 — CID 175624199

IUPAC[5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol
SMILESOC(O)c1cn2c(n1)CCC2c1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C17H18N4O2/c22-17(23)13-9-21-14(4-6-16(21)19-13)12-8-20-7-11(10-1-2-10)3-5-15(20)18-12/h3,5,7-10,14,17,22-23H,1-2,4,6H2
InChIKeySKZLEQGGXADRJW-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.93
Rot. Bonds3

About [5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol

[5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol (PubChem CID 175624199) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is [5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol.

Molecular Properties

Compound Name[5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol
PubChem CID175624199
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name[5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol
SMILESOC(O)c1cn2c(n1)CCC2c1cn2cc(C3CC3)ccc2n1
InChIInChI=1S/C17H18N4O2/c22-17(23)13-9-21-14(4-6-16(21)19-13)12-8-20-7-11(10-1-2-10)3-5-15(20)18-12/h3,5,7-10,14,17,22-23H,1-2,4,6H2
InChIKeySKZLEQGGXADRJW-UHFFFAOYSA-N
XLogP1.93
TPSA75.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-cyclopropylimidazo[1,2-a]pyridine
CID 915895
benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 165133490
6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 139487962
[(2S,3R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
CID 165132894
benzyl (2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 165131775
2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoroacetamide
CID 151599463
benzyl 2-[(2R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-oxopyrrolidin-1-yl]acetate
CID 175616649
2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridine
CID 59627485
2-cyclopropylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 63906537
2-ethenyl-6-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridine;methane
CID 142598185
(Z)-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-ene-1,2-diamine;ethane
CID 165133239
benzyl (2S,3S)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-3-methylpyrrolidine-1-carboxylate
CID 175615539

Frequently Asked Questions

What is the IUPAC name of [5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol?
The IUPAC name of [5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol (CID 175624199) is [5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol.
What is the SMILES notation for [5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol?
The canonical SMILES for [5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol is OC(O)c1cn2c(n1)CCC2c1cn2cc(C3CC3)ccc2n1.
What is the InChIKey of [5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol?
The InChIKey is SKZLEQGGXADRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-17(23)13-9-21-14(4-6-16(21)19-13)12-8-20-7-11(10-1-2-10)3-5-15(20)18-12/h3,5,7-10,14,17,22-23H,1-2,4,6H2.
What are the key properties of [5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol?
[5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol has a molecular weight of 310.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methanediol is sourced from PubChem (CID 175624199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).