(3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine

C19H23FN6O — CID 174179790

IUPAC(3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc2c(cnn2C2=NCC=C2)c2c1CCN2CCF
InChIInChI=1S/C19H23FN6O/c1-13-12-27-10-9-25(13)18-14-4-7-24(8-5-20)17(14)15-11-22-26(19(15)23-18)16-3-2-6-21-16/h2-3,11,13H,4-10,12H2,1H3/t13-/m1/s1
InChIKeyHSBFYOBOMZLMLH-CYBMUJFWSA-N
MW370.43 g/mol
LogP1.80
Rot. Bonds3

About (3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine

(3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine (PubChem CID 174179790) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is (3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine
PubChem CID174179790
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name(3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc2c(cnn2C2=NCC=C2)c2c1CCN2CCF
InChIInChI=1S/C19H23FN6O/c1-13-12-27-10-9-25(13)18-14-4-7-24(8-5-20)17(14)15-11-22-26(19(15)23-18)16-3-2-6-21-16/h2-3,11,13H,4-10,12H2,1H3/t13-/m1/s1
InChIKeyHSBFYOBOMZLMLH-CYBMUJFWSA-N
XLogP1.80
TPSA58.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine with MolForge

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Related Compounds

2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid
CID 175729827
[1-hydroxy-2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethyl] 2,2,2-trifluoroacetate
CID 169003255
trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane
CID 170680002
(3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine
CID 174179967
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59239620
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703371
1-ethyl-3-[4-[(8S)-7-ethyl-8-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67478327
1-ethyl-3-[4-[7-ethyl-8-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67275959
7-fluoro-5-[(3R)-3-methylmorpholin-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-1,6-naphthyridine-8-carbaldehyde
CID 170110731

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine (CID 174179790) is (3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1nc2c(cnn2C2=NCC=C2)c2c1CCN2CCF.
What is the InChIKey of (3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine?
The InChIKey is HSBFYOBOMZLMLH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-13-12-27-10-9-25(13)18-14-4-7-24(8-5-20)17(14)15-11-22-26(19(15)23-18)16-3-2-6-21-16/h2-3,11,13H,4-10,12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine?
(3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine has a molecular weight of 370.43 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine is sourced from PubChem (CID 174179790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).