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

C30H30F2N8O3S — CID 169202495

IUPAC2-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
SMILESN#Cc1c(N)sc2c(F)cnc(-c3c4c(c5c(N6C7CCC6CNC7)nc(OCCN6CCOCC6)nc5c3F)COC4)c12
InChIInChI=1S/C30H30F2N8O3S/c31-20-12-36-25(22-17(9-33)28(34)44-27(20)22)21-18-13-42-14-19(18)23-26(24(21)32)37-30(43-8-5-39-3-6-41-7-4-39)38-29(23)40-15-1-2-16(40)11-35-10-15/h12,15-16,35H,1-8,10-11,13-14,34H2
InChIKeyUUOSTZWFCXJBTI-UHFFFAOYSA-N
MW620.69 g/mol
LogP3.32
Rot. Bonds6

About 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

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 (PubChem CID 169202495) has the molecular formula C30H30F2N8O3S and a molecular weight of 620.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID169202495
Molecular FormulaC30H30F2N8O3S
Molecular Weight620.69 g/mol
Exact Mass620.21
IUPAC Name2-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
SMILESN#Cc1c(N)sc2c(F)cnc(-c3c4c(c5c(N6C7CCC6CNC7)nc(OCCN6CCOCC6)nc5c3F)COC4)c12
InChIInChI=1S/C30H30F2N8O3S/c31-20-12-36-25(22-17(9-33)28(34)44-27(20)22)21-18-13-42-14-19(18)23-26(24(21)32)37-30(43-8-5-39-3-6-41-7-4-39)38-29(23)40-15-1-2-16(40)11-35-10-15/h12,15-16,35H,1-8,10-11,13-14,34H2
InChIKeyUUOSTZWFCXJBTI-UHFFFAOYSA-N
XLogP3.32
TPSA134.68 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.69
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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-[[(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-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-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
2-amino-4-[1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-3-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]-5-fluoro-1-benzothiophene-3-carbonitrile
CID 169202118
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
2-amino-4-[1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-fluoro-3-[[2-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methoxy]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]-5-fluoro-1-benzothiophene-3-carbonitrile
CID 169201989
2-amino-4-[1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7,9-dihydrofuro[3,4-f]quinazolin-6-yl]-5-fluoro-1-benzothiophene-3-carbonitrile
CID 169202292
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1c(N)sc2c(F)cnc(-c3c4c(c5c(N6C7CCC6CNC7)nc(OCCN6CCOCC6)nc5c3F)COC4)c12.
What is the InChIKey of 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?
The InChIKey is UUOSTZWFCXJBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N8O3S/c31-20-12-36-25(22-17(9-33)28(34)44-27(20)22)21-18-13-42-14-19(18)23-26(24(21)32)37-30(43-8-5-39-3-6-41-7-4-39)38-29(23)40-15-1-2-16(40)11-35-10-15/h12,15-16,35H,1-8,10-11,13-14,34H2.
What are the key properties of 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?
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 has a molecular weight of 620.69 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169202495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).