4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C22H26F3N5O3 — CID 175430226

IUPAC4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(Nc2ccc(C(CF)(C(F)F)N3CCOCC3)cc2OC)nc2[nH]ccc12
InChIInChI=1S/C22H26F3N5O3/c1-3-33-19-15-6-7-26-18(15)28-21(29-19)27-16-5-4-14(12-17(16)31-2)22(13-23,20(24)25)30-8-10-32-11-9-30/h4-7,12,20H,3,8-11,13H2,1-2H3,(H2,26,27,28,29)
InChIKeyLWOWZOYMCSQYKQ-UHFFFAOYSA-N
MW465.48 g/mol
LogP3.87
Rot. Bonds9

About 4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 175430226) has the molecular formula C22H26F3N5O3 and a molecular weight of 465.48 g/mol. Its IUPAC name is 4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID175430226
Molecular FormulaC22H26F3N5O3
Molecular Weight465.48 g/mol
Exact Mass465.20
IUPAC Name4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(Nc2ccc(C(CF)(C(F)F)N3CCOCC3)cc2OC)nc2[nH]ccc12
InChIInChI=1S/C22H26F3N5O3/c1-3-33-19-15-6-7-26-18(15)28-21(29-19)27-16-5-4-14(12-17(16)31-2)22(13-23,20(24)25)30-8-10-32-11-9-30/h4-7,12,20H,3,8-11,13H2,1-2H3,(H2,26,27,28,29)
InChIKeyLWOWZOYMCSQYKQ-UHFFFAOYSA-N
XLogP3.87
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

4-ethoxy-N-[2-methoxy-4-[2,2,2-trifluoro-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 170197143
4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 170196949
N-[5-chloro-1-(oxetan-3-yl)pyrazol-4-yl]-4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118289013
[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-[5-(hydroxymethyl)-3-azabicyclo[3.1.0]hex-1(6)-en-3-yl]methanone
CID 137418213
[4-[[4-ethoxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 118286448
[3-methoxy-4-[[4-(2-methoxybutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 145138834
4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 163455040
4-ethoxy-N-[5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118288952
4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118289024
4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 175846558
4-ethoxy-N-[1-(3-fluoro-1-methylpiperidin-4-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 161100873
4-N-[(2R)-butan-2-yl]-2-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 154648842

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 175430226) is 4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CCOc1nc(Nc2ccc(C(CF)(C(F)F)N3CCOCC3)cc2OC)nc2[nH]ccc12.
What is the InChIKey of 4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is LWOWZOYMCSQYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O3/c1-3-33-19-15-6-7-26-18(15)28-21(29-19)27-16-5-4-14(12-17(16)31-2)22(13-23,20(24)25)30-8-10-32-11-9-30/h4-7,12,20H,3,8-11,13H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 465.48 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 175430226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).