N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C24H21F3N4O3 — CID 169186280

IUPACN-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(Oc2ncnc3c2ccn3CCCO)cc1
InChIInChI=1S/C24H21F3N4O3/c25-24(26,27)17-4-2-16(3-5-17)14-21(33)30-18-6-8-19(9-7-18)34-23-20-10-12-31(11-1-13-32)22(20)28-15-29-23/h2-10,12,15,32H,1,11,13-14H2,(H,30,33)
InChIKeyAJJVNBHOUCMECO-UHFFFAOYSA-N
MW470.45 g/mol
LogP4.81
Rot. Bonds8

About N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 169186280) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID169186280
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC NameN-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(Oc2ncnc3c2ccn3CCCO)cc1
InChIInChI=1S/C24H21F3N4O3/c25-24(26,27)17-4-2-16(3-5-17)14-21(33)30-18-6-8-19(9-7-18)34-23-20-10-12-31(11-1-13-32)22(20)28-15-29-23/h2-10,12,15,32H,1,11,13-14H2,(H,30,33)
InChIKeyAJJVNBHOUCMECO-UHFFFAOYSA-N
XLogP4.81
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-morpholin-4-yl-4-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 169186330
N-[4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 169186319
4-[2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]pyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 175935545
N-methyl-4-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]cyclohepta-1,3,6-trien-1-yl]oxypyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 170214339
N-[4-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27147330
phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate
CID 169186337
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
N-(4-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534873
phenyl 4-[4-(trifluoromethylamino)phenoxy]pyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 170214342
N-(6-amino-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62901879
N-[7-(4-hydroxybutyl)pyrrolo[2,3-d]pyrimidin-4-yl]benzamide
CID 170104162

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 169186280) is N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(Oc2ncnc3c2ccn3CCCO)cc1.
What is the InChIKey of N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AJJVNBHOUCMECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c25-24(26,27)17-4-2-16(3-5-17)14-21(33)30-18-6-8-19(9-7-18)34-23-20-10-12-31(11-1-13-32)22(20)28-15-29-23/h2-10,12,15,32H,1,11,13-14H2,(H,30,33).
What are the key properties of N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 470.45 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 169186280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).