(3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone

C12H12IN3O2 — CID 66724497

IUPAC(3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone
SMILESO=C(c1ccn2c(I)cnc2c1)N1CCC(O)C1
InChIInChI=1S/C12H12IN3O2/c13-10-6-14-11-5-8(1-4-16(10)11)12(18)15-3-2-9(17)7-15/h1,4-6,9,17H,2-3,7H2
InChIKeyJEWTYLMHPKFSDN-UHFFFAOYSA-N
MW357.15 g/mol
LogP1.15
Rot. Bonds1

About (3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone

(3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone (PubChem CID 66724497) has the molecular formula C12H12IN3O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone
PubChem CID66724497
Molecular FormulaC12H12IN3O2
Molecular Weight357.15 g/mol
Exact Mass357.00
IUPAC Name(3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone
SMILESO=C(c1ccn2c(I)cnc2c1)N1CCC(O)C1
InChIInChI=1S/C12H12IN3O2/c13-10-6-14-11-5-8(1-4-16(10)11)12(18)15-3-2-9(17)7-15/h1,4-6,9,17H,2-3,7H2
InChIKeyJEWTYLMHPKFSDN-UHFFFAOYSA-N
XLogP1.15
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

azetidin-1-yl-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone
CID 57497689
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79041393
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
(4-amino-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209802
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470
(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
CID 62916238
(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918769

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone (CID 66724497) is (3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone is O=C(c1ccn2c(I)cnc2c1)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone?
The InChIKey is JEWTYLMHPKFSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O2/c13-10-6-14-11-5-8(1-4-16(10)11)12(18)15-3-2-9(17)7-15/h1,4-6,9,17H,2-3,7H2.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone?
(3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone has a molecular weight of 357.15 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-(3-iodoimidazo[1,2-a]pyridin-7-yl)methanone is sourced from PubChem (CID 66724497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).