2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile

C19H11F2N5O3S — CID 169202276

IUPAC2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile
SMILESCOc1nc2c(F)c(-c3ncc(F)c4sc(N)c(C#N)c34)c3c(c2c(=O)[nH]1)COC3
InChIInChI=1S/C19H11F2N5O3S/c1-28-19-25-15-12(18(27)26-19)8-5-29-4-7(8)10(13(15)21)14-11-6(2-22)17(23)30-16(11)9(20)3-24-14/h3H,4-5,23H2,1H3,(H,25,26,27)
InChIKeyZPWLXSWJOKAMLH-UHFFFAOYSA-N
MW427.39 g/mol
LogP2.97
Rot. Bonds2

About 2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile

2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 169202276) has the molecular formula C19H11F2N5O3S and a molecular weight of 427.39 g/mol. Its IUPAC name is 2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile
PubChem CID169202276
Molecular FormulaC19H11F2N5O3S
Molecular Weight427.39 g/mol
Exact Mass427.06
IUPAC Name2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile
SMILESCOc1nc2c(F)c(-c3ncc(F)c4sc(N)c(C#N)c34)c3c(c2c(=O)[nH]1)COC3
InChIInChI=1S/C19H11F2N5O3S/c1-28-19-25-15-12(18(27)26-19)8-5-29-4-7(8)10(13(15)21)14-11-6(2-22)17(23)30-16(11)9(20)3-24-14/h3H,4-5,23H2,1H3,(H,25,26,27)
InChIKeyZPWLXSWJOKAMLH-UHFFFAOYSA-N
XLogP2.97
TPSA126.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-7-fluoro-4-[5-fluoro-1-[3-[3-hydroxy-2-(hydroxymethyl)propyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-methoxy-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile
CID 169202151
2-amino-7-fluoro-4-[5-fluoro-3-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-1-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile
CID 170689511
2-amino-4-[1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-fluoro-3-(2-morpholin-4-ylethoxy)-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]-7-fluorothieno[3,2-c]pyridine-3-carbonitrile
CID 169202495
2-amino-4-[1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-fluoro-3-[1-(1-methylpyrrolidin-2-yl)ethoxy]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]-7-fluorothieno[3,2-c]pyridine-3-carbonitrile
CID 176961319
2-amino-7-fluoro-4-[5-fluoro-1-[3-(2-fluoroethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile
CID 169202263
2-amino-7-fluoro-4-[5-fluoro-3-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-hydroxyethylamino)-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile
CID 169202316
2-amino-4-[3-[[(2S)-5,5-difluoro-1-methylpiperidin-2-yl]methoxy]-5-fluoro-1-[3-[(2R)-2-hydroxypropyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]-7-fluorothieno[3,2-c]pyridine-3-carbonitrile
CID 169201865
2-amino-7-fluoro-4-[5-fluoro-3-[[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-[3-(3-methoxypropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile
CID 169202005
[3-cyano-4-(3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-6-yl)-7-fluorothieno[3,2-c]pyridin-2-yl]carbamic acid
CID 170165930
2-amino-7-fluoro-4-[5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-[3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile
CID 170279911
2-amino-7-fluoro-4-[5-fluoro-3-[[(8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-[3-(oxetan-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]thieno[3,2-c]pyridine-3-carbonitrile;methanethiol
CID 169201910
[3-cyano-4-[3-[[(2S)-5,5-difluoro-1-methylpiperidin-2-yl]methoxy]-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]-7-fluorothieno[3,2-c]pyridin-2-yl]carbamic acid
CID 174188312

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile (CID 169202276) is 2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile is COc1nc2c(F)c(-c3ncc(F)c4sc(N)c(C#N)c34)c3c(c2c(=O)[nH]1)COC3.
What is the InChIKey of 2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile?
The InChIKey is ZPWLXSWJOKAMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N5O3S/c1-28-19-25-15-12(18(27)26-19)8-5-29-4-7(8)10(13(15)21)14-11-6(2-22)17(23)30-16(11)9(20)3-24-14/h3H,4-5,23H2,1H3,(H,25,26,27).
What are the key properties of 2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile?
2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile has a molecular weight of 427.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-fluoro-4-(5-fluoro-3-methoxy-1-oxo-7,9-dihydro-2H-furo[3,4-f]quinazolin-6-yl)thieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 169202276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).