N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide

C24H23FN6O2 — CID 146570418

IUPACN-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1
InChIInChI=1S/C24H23FN6O2/c25-21-4-2-1-3-16(21)5-6-26-24(32)23-27-12-17(13-28-23)20-15-30-22-19(20)11-18(14-29-22)31-7-9-33-10-8-31/h1-4,11-15H,5-10H2,(H,26,32)(H,29,30)
InChIKeyDVJMNZBZOSYJJT-UHFFFAOYSA-N
MW446.49 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide

N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide (PubChem CID 146570418) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
PubChem CID146570418
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1
InChIInChI=1S/C24H23FN6O2/c25-21-4-2-1-3-16(21)5-6-26-24(32)23-27-12-17(13-28-23)20-15-30-22-19(20)11-18(14-29-22)31-7-9-33-10-8-31/h1-4,11-15H,5-10H2,(H,26,32)(H,29,30)
InChIKeyDVJMNZBZOSYJJT-UHFFFAOYSA-N
XLogP2.97
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2-methylphenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570423
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide
CID 146610079
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide
CID 146610083
[5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 146570463
N-[1-(1-iodo-2-methyl-2,3-dihydropyrrol-4-yl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 163794001
N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343472
5-[5-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1-phenylethyl)pyrimidine-2-carboxamide
CID 146570468
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324210
N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride
CID 11511166
4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570466
5-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidine-2-carboxamide
CID 146610155
N-[2-(2-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253197

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide (CID 146570418) is N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide is O=C(NCCc1ccccc1F)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide?
The InChIKey is DVJMNZBZOSYJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c25-21-4-2-1-3-16(21)5-6-26-24(32)23-27-12-17(13-28-23)20-15-30-22-19(20)11-18(14-29-22)31-7-9-33-10-8-31/h1-4,11-15H,5-10H2,(H,26,32)(H,29,30).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 146570418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).