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

C23H21F2N5O3 — CID 59244403

IUPACN-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C23H21F2N5O3/c24-15-4-5-19(18(25)13-15)26-23(32)30-7-6-17-20(14-2-1-3-16(31)12-14)27-22(28-21(17)30)29-8-10-33-11-9-29/h1-5,12-13,31H,6-11H2,(H,26,32)
InChIKeyXTTRLZGSGKRJIB-UHFFFAOYSA-N
MW453.45 g/mol
LogP3.56
Rot. Bonds3

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

N-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 59244403) has the molecular formula C23H21F2N5O3 and a molecular weight of 453.45 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID59244403
Molecular FormulaC23H21F2N5O3
Molecular Weight453.45 g/mol
Exact Mass453.16
IUPAC NameN-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C23H21F2N5O3/c24-15-4-5-19(18(25)13-15)26-23(32)30-7-6-17-20(14-2-1-3-16(31)12-14)27-22(28-21(17)30)29-8-10-33-11-9-29/h1-5,12-13,31H,6-11H2,(H,26,32)
InChIKeyXTTRLZGSGKRJIB-UHFFFAOYSA-N
XLogP3.56
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 59244403) is N-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is XTTRLZGSGKRJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O3/c24-15-4-5-19(18(25)13-15)26-23(32)30-7-6-17-20(14-2-1-3-16(31)12-14)27-22(28-21(17)30)29-8-10-33-11-9-29/h1-5,12-13,31H,6-11H2,(H,26,32).
What are the key properties of N-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
N-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 453.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 59244403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).