2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C21H20FN3O3 — CID 4995305

IUPAC2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CC1CCCO1)C(c1ccc(F)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C21H20FN3O3/c1-12-9-17-19(21(26)25(12)11-15-3-2-8-27-15)18(16(10-23)20(24)28-17)13-4-6-14(22)7-5-13/h4-7,9,15,18H,2-3,8,11,24H2,1H3
InChIKeyGBURLUKJKGSRCD-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.69
Rot. Bonds3

About 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 4995305) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID4995305
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CC1CCCO1)C(c1ccc(F)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C21H20FN3O3/c1-12-9-17-19(21(26)25(12)11-15-3-2-8-27-15)18(16(10-23)20(24)28-17)13-4-6-14(22)7-5-13/h4-7,9,15,18H,2-3,8,11,24H2,1H3
InChIKeyGBURLUKJKGSRCD-UHFFFAOYSA-N
XLogP2.69
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(3-(diethylamino)propyl)-7-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661945
2-amino-4-benzyl-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 666721
2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 667387
2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholinoethyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3815636
2-amino-4-(4-isopropylphenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4888550
methyl 2-amino-7-methyl-5-oxo-4-phenyl-6-(tetrahydrofuran-2-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 666370
(R)-2-amino-4-(o-fluorophenyl)-7-methyl-6-(2-morpholinoethyl)-5-oxo-1-oxa-6-aza-5,6-dihydro-4H-naphthalene-3-carbonitrile
CID 1878368
2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3457057
2-amino-4-(2-fluorophenyl)-7-methyl-6-(2-morpholinoethyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3734489
2-amino-6-(2-(dimethylamino)ethyl)-4-(4-fluorophenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3773637
2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-6-(tetrahydrofuran-2-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3977692
2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-6-((tetrahydrofuran-2-yl)methyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4040194

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 4995305) is 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1CC1CCCO1)C(c1ccc(F)cc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is GBURLUKJKGSRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-12-9-17-19(21(26)25(12)11-15-3-2-8-27-15)18(16(10-23)20(24)28-17)13-4-6-14(22)7-5-13/h4-7,9,15,18H,2-3,8,11,24H2,1H3.
What are the key properties of 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 381.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 4995305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).