4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

C24H22F3N5O3 — CID 59244711

IUPAC4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C24H22F3N5O3/c25-24(26,27)16-4-6-17(7-5-16)28-23(34)32-9-8-19-20(15-2-1-3-18(33)14-15)29-22(30-21(19)32)31-10-12-35-13-11-31/h1-7,14,33H,8-13H2,(H,28,34)
InChIKeyBFWGDWQPZSKBDI-UHFFFAOYSA-N
MW485.47 g/mol
LogP4.30
Rot. Bonds3

About 4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 59244711) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID59244711
Molecular FormulaC24H22F3N5O3
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC Name4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C24H22F3N5O3/c25-24(26,27)16-4-6-17(7-5-16)28-23(34)32-9-8-19-20(15-2-1-3-18(33)14-15)29-22(30-21(19)32)31-10-12-35-13-11-31/h1-7,14,33H,8-13H2,(H,28,34)
InChIKeyBFWGDWQPZSKBDI-UHFFFAOYSA-N
XLogP4.30
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 59244711) is 4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of 4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is BFWGDWQPZSKBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3/c25-24(26,27)16-4-6-17(7-5-16)28-23(34)32-9-8-19-20(15-2-1-3-18(33)14-15)29-22(30-21(19)32)31-10-12-35-13-11-31/h1-7,14,33H,8-13H2,(H,28,34).
What are the key properties of 4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 485.47 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 59244711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).