5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine

C23H22FN5O — CID 174761007

IUPAC5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc(Oc3cccc(F)c3)cc1)cn2[C@@H]1CCCNC1
InChIInChI=1S/C23H22FN5O/c24-16-3-1-5-19(11-16)30-18-8-6-15(7-9-18)20-13-29(17-4-2-10-26-12-17)23-21(20)22(25)27-14-28-23/h1,3,5-9,11,13-14,17,26H,2,4,10,12H2,(H2,25,27,28)/t17-/m1/s1
InChIKeyLJJYTISTWQSNEI-QGZVFWFLSA-N
MW403.46 g/mol
LogP4.54
Rot. Bonds4

About 5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine

5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 174761007) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID174761007
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc(Oc3cccc(F)c3)cc1)cn2[C@@H]1CCCNC1
InChIInChI=1S/C23H22FN5O/c24-16-3-1-5-19(11-16)30-18-8-6-15(7-9-18)20-13-29(17-4-2-10-26-12-17)23-21(20)22(25)27-14-28-23/h1,3,5-9,11,13-14,17,26H,2,4,10,12H2,(H2,25,27,28)/t17-/m1/s1
InChIKeyLJJYTISTWQSNEI-QGZVFWFLSA-N
XLogP4.54
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

tert-butyl formate;5-[4-(3-fluorophenoxy)phenyl]-6-methyl-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 175290952
7-cyclohexyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine;ethane;1-methylpiperazine
CID 156857412
3-[4-(3-fluorophenoxy)phenyl]-1-[(3R)-piperidin-3-yl]-2,3-dihydropyrazolo[3,4-d]pyrimidin-4-amine
CID 122583306
tert-butyl 3-methylsulfonyloxypiperidine-1-carboxylate;5-(4-phenoxyphenyl)-7-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 160916178
tert-butyl formate;5-(4-phenoxyphenyl)-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 174760975
N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(4-fluorophenoxy)benzenesulfonamide;N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-phenylbenzenesulfonamide
CID 161471859
6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 90150400
7-[1-(1-methylpiperidin-3-yl)piperidin-4-yl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156857198
[1-amino-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanol
CID 22736412
4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine
CID 151043023
7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54434264
7-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 22736348

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 174761007) is 5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccc(Oc3cccc(F)c3)cc1)cn2[C@@H]1CCCNC1.
What is the InChIKey of 5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LJJYTISTWQSNEI-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22FN5O/c24-16-3-1-5-19(11-16)30-18-8-6-15(7-9-18)20-13-29(17-4-2-10-26-12-17)23-21(20)22(25)27-14-28-23/h1,3,5-9,11,13-14,17,26H,2,4,10,12H2,(H2,25,27,28)/t17-/m1/s1.
What are the key properties of 5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 403.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 174761007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).