6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline

C25H28BrF2N5O2 — CID 169201974

IUPAC6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline
SMILESCN1CC2N(c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc4c(F)c(Br)c5c(c34)COC5)C3CCC321
InChIInChI=1S/C25H28BrF2N5O2/c1-31-9-17-25(31)5-3-16(25)33(17)22-18-14-10-34-11-15(14)19(26)20(28)21(18)29-23(30-22)35-12-24-4-2-6-32(24)8-13(27)7-24/h13,16-17H,2-12H2,1H3/t13-,16?,17?,24+,25?/m1/s1
InChIKeyUCQMRULHBUBLJP-BJXNLVRTSA-N
MW548.43 g/mol
LogP3.55
Rot. Bonds4

About 6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline

6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline (PubChem CID 169201974) has the molecular formula C25H28BrF2N5O2 and a molecular weight of 548.43 g/mol. Its IUPAC name is 6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline.

Molecular Properties

Compound Name6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline
PubChem CID169201974
Molecular FormulaC25H28BrF2N5O2
Molecular Weight548.43 g/mol
Exact Mass547.14
IUPAC Name6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline
SMILESCN1CC2N(c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc4c(F)c(Br)c5c(c34)COC5)C3CCC321
InChIInChI=1S/C25H28BrF2N5O2/c1-31-9-17-25(31)5-3-16(25)33(17)22-18-14-10-34-11-15(14)19(26)20(28)21(18)29-23(30-22)35-12-24-4-2-6-32(24)8-13(27)7-24/h13,16-17H,2-12H2,1H3/t13-,16?,17?,24+,25?/m1/s1
InChIKeyUCQMRULHBUBLJP-BJXNLVRTSA-N
XLogP3.55
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline with MolForge

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Related Compounds

(13R)-7-bromo-8-chloro-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-12,13,14-trimethyl-10-oxa-2,4,14-triazatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
CID 169182319
(6S)-11-bromo-10-chloro-12-fluoro-15-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-oxa-2,14,16-triazatetracyclo[7.7.1.02,6.013,17]heptadeca-1(16),9,11,13(17),14-pentaene
CID 176852236
(12S)-7-bromo-8-chloro-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-12-methyl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene
CID 175983500
4-(3-azabicyclo[3.2.0]heptan-3-yl)-7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methylpyrido[4,3-d]pyrimidine
CID 171783337
tert-butyl N-[3-cyano-4-[1-(2-ethyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-5-fluoro-3-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]-1-benzothiophen-2-yl]carbamate
CID 169202544
tert-butyl 3-[7-bromo-5,6,8-trifluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 170624042
2-amino-7-fluoro-4-[5-fluoro-3-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]-1-benzofuran-3-carbonitrile
CID 169201845
7-bromo-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-iodo-4-methylsulfanylquinazoline
CID 177213366
2-amino-4-[5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(3-methyl-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 170288150
(3R)-1-[7-bromo-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-3-methylpiperidin-3-amine
CID 171613477
1-[7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methylpyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine
CID 171783298
tert-butyl 3-[7-bromo-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methylquinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 170624250

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline?
The IUPAC name of 6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline (CID 169201974) is 6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline.
What is the SMILES notation for 6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline?
The canonical SMILES for 6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline is CN1CC2N(c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc4c(F)c(Br)c5c(c34)COC5)C3CCC321.
What is the InChIKey of 6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline?
The InChIKey is UCQMRULHBUBLJP-BJXNLVRTSA-N. The full InChI is InChI=1S/C25H28BrF2N5O2/c1-31-9-17-25(31)5-3-16(25)33(17)22-18-14-10-34-11-15(14)19(26)20(28)21(18)29-23(30-22)35-12-24-4-2-6-32(24)8-13(27)7-24/h13,16-17H,2-12H2,1H3/t13-,16?,17?,24+,25?/m1/s1.
What are the key properties of 6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline?
6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline has a molecular weight of 548.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1-(2-methyl-2,5-diazatricyclo[4.2.0.01,4]octan-5-yl)-7,9-dihydrofuro[3,4-f]quinazoline is sourced from PubChem (CID 169201974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).