3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C22H23F4N5O2 — CID 163236269

IUPAC3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC1NCC2COCC12.Fc1ccc2c(c1)OCCC2Nc1ncnc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C16H12F4N4O.C6H11NO/c17-8-1-2-9-11(3-4-25-12(9)5-8)23-14-10-6-13(16(18,19)20)24-15(10)22-7-21-14;1-5-3-8-4-6(5)2-7-1/h1-2,5-7,11H,3-4H2,(H2,21,22,23,24);5-7H,1-4H2
InChIKeyHRHUHKKOPWLCPA-UHFFFAOYSA-N
MW465.45 g/mol
LogP3.90
Rot. Bonds2

About 3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 163236269) has the molecular formula C22H23F4N5O2 and a molecular weight of 465.45 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID163236269
Molecular FormulaC22H23F4N5O2
Molecular Weight465.45 g/mol
Exact Mass465.18
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC1NCC2COCC12.Fc1ccc2c(c1)OCCC2Nc1ncnc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C16H12F4N4O.C6H11NO/c17-8-1-2-9-11(3-4-25-12(9)5-8)23-14-10-6-13(16(18,19)20)24-15(10)22-7-21-14;1-5-3-8-4-6(5)2-7-1/h1-2,5-7,11H,3-4H2,(H2,21,22,23,24);5-7H,1-4H2
InChIKeyHRHUHKKOPWLCPA-UHFFFAOYSA-N
XLogP3.90
TPSA84.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
(2S)-2-[[6-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 117804364
(2S)-2-[[6-(2-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162643734
N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162647772
6-[2-(difluoromethoxy)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162648476
(3R)-3-[[6-(2-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
CID 162658432
6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162667638
(2S)-2-phenyl-2-[[6-[2-(trideuteriomethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 162670630
4-butoxy-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 10833355
4-(2-(Trifluoromethoxy)benzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-piperidin-4-amine
CID 45141616
4-(5-fluoro-2-methoxyphenyl)-6-(piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 86271754
4-(4-Fluoro-2-methoxyphenyl)-2-(4-piperidinyl)-1H-pyrrolo[2,3-b]pyridine
CID 90412502

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 163236269) is 3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is C1NCC2COCC12.Fc1ccc2c(c1)OCCC2Nc1ncnc2[nH]c(C(F)(F)F)cc12.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HRHUHKKOPWLCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O.C6H11NO/c17-8-1-2-9-11(3-4-25-12(9)5-8)23-14-10-6-13(16(18,19)20)24-15(10)22-7-21-14;1-5-3-8-4-6(5)2-7-1/h1-2,5-7,11H,3-4H2,(H2,21,22,23,24);5-7H,1-4H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 465.45 g/mol, XLogP of 3.90, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 163236269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).