1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

C21H17ClN6O3 — CID 165133229

IUPAC1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(Cc4nc5ccnc(Cl)c5o4)nc23)C1=O
InChIInChI=1S/C21H17ClN6O3/c1-26-17(29)10-28(21(26)30)15-6-12(11-2-3-11)8-27-9-13(24-20(15)27)7-16-25-14-4-5-23-19(22)18(14)31-16/h4-6,8-9,11H,2-3,7,10H2,1H3
InChIKeyTYKNGTJCAOHVKH-UHFFFAOYSA-N
MW436.86 g/mol
LogP3.39
Rot. Bonds4

About 1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 165133229) has the molecular formula C21H17ClN6O3 and a molecular weight of 436.86 g/mol. Its IUPAC name is 1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
PubChem CID165133229
Molecular FormulaC21H17ClN6O3
Molecular Weight436.86 g/mol
Exact Mass436.11
IUPAC Name1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(Cc4nc5ccnc(Cl)c5o4)nc23)C1=O
InChIInChI=1S/C21H17ClN6O3/c1-26-17(29)10-28(21(26)30)15-6-12(11-2-3-11)8-27-9-13(24-20(15)27)7-16-25-14-4-5-23-19(22)18(14)31-16/h4-6,8-9,11H,2-3,7,10H2,1H3
InChIKeyTYKNGTJCAOHVKH-UHFFFAOYSA-N
XLogP3.39
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (CID 165133229) is 1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is CN1C(=O)CN(c2cc(C3CC3)cn3cc(Cc4nc5ccnc(Cl)c5o4)nc23)C1=O.
What is the InChIKey of 1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is TYKNGTJCAOHVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O3/c1-26-17(29)10-28(21(26)30)15-6-12(11-2-3-11)8-27-9-13(24-20(15)27)7-16-25-14-4-5-23-19(22)18(14)31-16/h4-6,8-9,11H,2-3,7,10H2,1H3.
What are the key properties of 1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 436.86 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 165133229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).