9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide

C21H22FN3O2 — CID 23729813

IUPAC12-(2-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
SMILESCC1=C(N2C=C(C3=C(C2=N1)OC(CC3)C4=CC=CC=C4F)C(=O)N(C)C)C
InChIInChI=1S/C21H22FN3O2/c1-12-13(2)25-11-16(21(26)24(3)4)14-9-10-18(27-19(14)20(25)23-12)15-7-5-6-8-17(15)22/h5-8,11,18H,9-10H2,1-4H3
InChIKeyFSIPURHGFCITFZ-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.00
Rot. Bonds2

About 9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide

9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide (PubChem CID 23729813) has the molecular formula C21H22FN3O2 and a molecular weight of 367.40 g/mol. Its IUPAC name is 12-(2-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide.

Molecular Properties

Compound Name9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
PubChem CID23729813
Molecular FormulaC21H22FN3O2
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name12-(2-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
SMILESCC1=C(N2C=C(C3=C(C2=N1)OC(CC3)C4=CC=CC=C4F)C(=O)N(C)C)C
InChIInChI=1S/C21H22FN3O2/c1-12-13(2)25-11-16(21(26)24(3)4)14-9-10-18(27-19(14)20(25)23-12)15-7-5-6-8-17(15)22/h5-8,11,18H,9-10H2,1-4H3
InChIKeyFSIPURHGFCITFZ-UHFFFAOYSA-N
XLogP4.00
TPSA46.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity560

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide with MolForge

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Related Compounds

(5r)-8-Amino-3-Fluoro-5,19-Dimethyl-20-Oxo-5,18,19,20-Tetrahydro-11,7-(Azeno)pyrido[2',1':2,3]imidazo[4,5-H][2,5,11]benzoxadiazacyclotetradecine-14-Carbonitrile
CID 89816720
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
CID 90286489
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
2-[1-[[6-(Cyclopropylmethoxy)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxocinnolin-3-yl]propanoic acid
CID 151463815
2-(8-methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 10546805
2-(6-Methoxy-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10690208
Ethyl 2,3-dimethyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxylate
CID 9946403
(9S)-N-Cyclopropyl-8,9-dihydro-2,3-dimethyl-9-phenyl-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 11210639
(12S)-N,N,4,5-tetramethyl-12-(2-methylphenyl)-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11245432
(12S)-N,N,4,5-tetramethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11450928
(12S)-12-(4-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 11485439
7H-8,9-dihydropyrano[2,3c]imidazo[1,2-a]pyridine
CID 13338270

Frequently Asked Questions

What is the IUPAC name of 9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide?
The IUPAC name of 9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide (CID 23729813) is 12-(2-fluorophenyl)-N,N,4,5-tetramethyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide.
What is the SMILES notation for 9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for 9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide is CC1=C(N2C=C(C3=C(C2=N1)OC(CC3)C4=CC=CC=C4F)C(=O)N(C)C)C.
What is the InChIKey of 9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide?
The InChIKey is FSIPURHGFCITFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-12-13(2)25-11-16(21(26)24(3)4)14-9-10-18(27-19(14)20(25)23-12)15-7-5-6-8-17(15)22/h5-8,11,18H,9-10H2,1-4H3.
What are the key properties of 9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide?
9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-Fluorophenyl)-N,N,2,3-tetramethyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 23729813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).