1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

C21H18FN5O5 — CID 165133402

IUPAC1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(COc4cc([N+](=O)[O-])ccc4F)nc23)C1=O
InChIInChI=1S/C21H18FN5O5/c1-24-19(28)10-26(21(24)29)17-6-13(12-2-3-12)8-25-9-14(23-20(17)25)11-32-18-7-15(27(30)31)4-5-16(18)22/h4-9,12H,2-3,10-11H2,1H3
InChIKeyDOPZCESBTUNRKP-UHFFFAOYSA-N
MW439.40 g/mol
LogP3.24
Rot. Bonds6

About 1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 165133402) has the molecular formula C21H18FN5O5 and a molecular weight of 439.40 g/mol. Its IUPAC name is 1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
PubChem CID165133402
Molecular FormulaC21H18FN5O5
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(COc4cc([N+](=O)[O-])ccc4F)nc23)C1=O
InChIInChI=1S/C21H18FN5O5/c1-24-19(28)10-26(21(24)29)17-6-13(12-2-3-12)8-25-9-14(23-20(17)25)11-32-18-7-15(27(30)31)4-5-16(18)22/h4-9,12H,2-3,10-11H2,1H3
InChIKeyDOPZCESBTUNRKP-UHFFFAOYSA-N
XLogP3.24
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165131728
tert-butyl N-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-(4-methylsulfonyl-3-nitrophenyl)carbamate
CID 165134583
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropanecarboxamide;5-fluoro-2-methylpyridine
CID 165132604
1-[6-cyclopropyl-2-[[5-[(1R,2R)-2-(4-methylpyrimidin-2-yl)cyclopropyl]imidazo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165134352
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 171758618
N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-(difluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 170774641
1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 170694148
6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
CID 4806396
1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one
CID 165131478
1-chloro-2-[(2,5-difluorophenoxy)methyl]-4-nitrobenzene
CID 63269550
4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide
CID 165134574
2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
CID 79489516

Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (CID 165133402) is 1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is CN1C(=O)CN(c2cc(C3CC3)cn3cc(COc4cc([N+](=O)[O-])ccc4F)nc23)C1=O.
What is the InChIKey of 1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is DOPZCESBTUNRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O5/c1-24-19(28)10-26(21(24)29)17-6-13(12-2-3-12)8-25-9-14(23-20(17)25)11-32-18-7-15(27(30)31)4-5-16(18)22/h4-9,12H,2-3,10-11H2,1H3.
What are the key properties of 1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 439.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-cyclopropyl-2-[(2-fluoro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 165133402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).