5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C27H23FN6O2 — CID 155547912

IUPAC5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESFc1cnccc1-c1c[nH]c2nc(Nc3ccc(N4CCOCC4)cc3)nc(Oc3ccccc3)c12
InChIInChI=1S/C27H23FN6O2/c28-23-17-29-11-10-21(23)22-16-30-25-24(22)26(36-20-4-2-1-3-5-20)33-27(32-25)31-18-6-8-19(9-7-18)34-12-14-35-15-13-34/h1-11,16-17H,12-15H2,(H2,30,31,32,33)
InChIKeyGCGXRKFLQPCONE-UHFFFAOYSA-N
MW482.52 g/mol
LogP5.53
Rot. Bonds6

About 5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 155547912) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID155547912
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESFc1cnccc1-c1c[nH]c2nc(Nc3ccc(N4CCOCC4)cc3)nc(Oc3ccccc3)c12
InChIInChI=1S/C27H23FN6O2/c28-23-17-29-11-10-21(23)22-16-30-25-24(22)26(36-20-4-2-1-3-5-20)33-27(32-25)31-18-6-8-19(9-7-18)34-12-14-35-15-13-34/h1-11,16-17H,12-15H2,(H2,30,31,32,33)
InChIKeyGCGXRKFLQPCONE-UHFFFAOYSA-N
XLogP5.53
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-4-phenoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155552072
5-(4-aminophenyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155538122
N-[3-[[2-(4-morpholin-4-ylanilino)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide
CID 155530459
5-fluoro-4-(5-fluoro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 24889684
1-[4-[[5-[6-(methylamino)-2-pyridinyl]-2-(4-morpholin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]prop-2-en-1-one
CID 155564156
CID 175425785
CID 175425785
4-morpholin-4-yl-N-phenylaniline
CID 159018746
4-[(3,3-difluoropiperidin-4-yl)methoxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385913
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
4-[4-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154747
5-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-methoxyethoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 150938367
5-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184886

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 155547912) is 5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Fc1cnccc1-c1c[nH]c2nc(Nc3ccc(N4CCOCC4)cc3)nc(Oc3ccccc3)c12.
What is the InChIKey of 5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is GCGXRKFLQPCONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c28-23-17-29-11-10-21(23)22-16-30-25-24(22)26(36-20-4-2-1-3-5-20)33-27(32-25)31-18-6-8-19(9-7-18)34-12-14-35-15-13-34/h1-11,16-17H,12-15H2,(H2,30,31,32,33).
What are the key properties of 5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 482.52 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-pyridinyl)-N-(4-morpholin-4-ylphenyl)-4-phenoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 155547912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).