6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine

C27H25ClF6N6O — CID 176992052

IUPAC6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(F)c(C(F)(F)F)c(-c2cc3nc(OCC45CCCN4CC(F)C5)nc(N4CCC=C(F)C4)c3cc2Cl)n1
InChIInChI=1S/C27H25ClF6N6O/c28-18-7-17-20(8-16(18)23-22(27(32,33)34)19(31)9-21(35)37-23)36-25(38-24(17)39-5-1-3-14(29)11-39)41-13-26-4-2-6-40(26)12-15(30)10-26/h3,7-9,15H,1-2,4-6,10-13H2,(H2,35,37)
InChIKeyLWFHVLUUIOBTBZ-UHFFFAOYSA-N
MW598.98 g/mol
LogP6.10
Rot. Bonds5

About 6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine

6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 176992052) has the molecular formula C27H25ClF6N6O and a molecular weight of 598.98 g/mol. Its IUPAC name is 6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine
PubChem CID176992052
Molecular FormulaC27H25ClF6N6O
Molecular Weight598.98 g/mol
Exact Mass598.17
IUPAC Name6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(F)c(C(F)(F)F)c(-c2cc3nc(OCC45CCCN4CC(F)C5)nc(N4CCC=C(F)C4)c3cc2Cl)n1
InChIInChI=1S/C27H25ClF6N6O/c28-18-7-17-20(8-16(18)23-22(27(32,33)34)19(31)9-21(35)37-23)36-25(38-24(17)39-5-1-3-14(29)11-39)41-13-26-4-2-6-40(26)12-15(30)10-26/h3,7-9,15H,1-2,4-6,10-13H2,(H2,35,37)
InChIKeyLWFHVLUUIOBTBZ-UHFFFAOYSA-N
XLogP6.10
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.98
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

6-[6-chloro-4-[1-(difluoromethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 176992027
6-[6-chloro-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,3,6,7-tetrahydroazepin-1-yl)quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine
CID 176991859
6-[4-[(1R,5R)-1-(2,2-difluoroethenyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine
CID 177213289
6-[8-chloro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-13-(2H-pyrrol-4-ylmethyl)-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 172991633
4-chloro-6-[8-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-(trifluoromethyl)quinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 167161512
1-[7-[6-amino-4-methoxy-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]piperidine-4-carbonitrile
CID 172556470
tert-butyl 3-[7-chloro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-(trifluoromethyl)quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 167467208
(3R)-1-[7-[5-amino-3-chloro-2-(trifluoromethyl)phenyl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-3-methylpiperidin-3-ol
CID 169153722
6-[6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-7-yl]-5-(trifluoromethyl)-4-(2-trimethylsilylethynyl)pyridin-2-amine
CID 171454004
6-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-7-yl]-5-(1,1-difluoroethyl)-4-methylpyridin-2-amine
CID 174230616
6-[4-[(1R,5R)-5-(2,2-difluoroethenyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine
CID 177213069
4-fluoro-6-[4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 176992024

Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine (CID 176992052) is 6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine is Nc1cc(F)c(C(F)(F)F)c(-c2cc3nc(OCC45CCCN4CC(F)C5)nc(N4CCC=C(F)C4)c3cc2Cl)n1.
What is the InChIKey of 6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LWFHVLUUIOBTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF6N6O/c28-18-7-17-20(8-16(18)23-22(27(32,33)34)19(31)9-21(35)37-23)36-25(38-24(17)39-5-1-3-14(29)11-39)41-13-26-4-2-6-40(26)12-15(30)10-26/h3,7-9,15H,1-2,4-6,10-13H2,(H2,35,37).
What are the key properties of 6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine?
6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 598.98 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-4-fluoro-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 176992052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).