2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide

C23H23N5O4 — CID 22736196

IUPAC2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide
SMILESNc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2CC(=O)NCC(O)CO
InChIInChI=1S/C23H23N5O4/c24-22-21-19(15-6-8-18(9-7-15)32-17-4-2-1-3-5-17)11-28(23(21)27-14-26-22)12-20(31)25-10-16(30)13-29/h1-9,11,14,16,29-30H,10,12-13H2,(H,25,31)(H2,24,26,27)
InChIKeyBFXHCMQYBMXDKT-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.94
Rot. Bonds8

About 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide

2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide (PubChem CID 22736196) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide
PubChem CID22736196
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide
SMILESNc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2CC(=O)NCC(O)CO
InChIInChI=1S/C23H23N5O4/c24-22-21-19(15-6-8-18(9-7-15)32-17-4-2-1-3-5-17)11-28(23(21)27-14-26-22)12-20(31)25-10-16(30)13-29/h1-9,11,14,16,29-30H,10,12-13H2,(H,25,31)(H2,24,26,27)
InChIKeyBFXHCMQYBMXDKT-UHFFFAOYSA-N
XLogP1.94
TPSA135.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propane-1,3-diol
CID 19597498
3-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-[bis(2-aminoethyl)amino]ethyl]propanamide
CID 70208372
4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-imidazol-1-ylpropyl)butanamide
CID 142649825
5-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 90001762
2-[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(methylamino)cyclohexyl]-N-methylacetamide
CID 156857271
N-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 57235103
(E)-1-[4-[[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 162674539
methyl 7-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidine-4-carboxylate
CID 167874069
7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 57308498
[1-amino-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanol
CID 22736412
N,N-bis[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]acetamide
CID 175332411
ethyl (2S)-2-[[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methylpentanoate
CID 131632969

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide?
The IUPAC name of 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide (CID 22736196) is 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide.
What is the SMILES notation for 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide?
The canonical SMILES for 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide is Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2CC(=O)NCC(O)CO.
What is the InChIKey of 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide?
The InChIKey is BFXHCMQYBMXDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c24-22-21-19(15-6-8-18(9-7-15)32-17-4-2-1-3-5-17)11-28(23(21)27-14-26-22)12-20(31)25-10-16(30)13-29/h1-9,11,14,16,29-30H,10,12-13H2,(H,25,31)(H2,24,26,27).
What are the key properties of 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide?
2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide has a molecular weight of 433.47 g/mol, XLogP of 1.94, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2,3-dihydroxypropyl)acetamide is sourced from PubChem (CID 22736196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).