N-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C17H16F3N5O2 — CID 42634223

IUPACN-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1C
InChIInChI=1S/C17H16F3N5O2/c1-3-21-16(26)13-8-12-14(22-9-23-15(12)25(13)2)24-10-4-6-11(7-5-10)27-17(18,19)20/h4-9H,3H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyMJSGVZNKKXZLGC-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.36
Rot. Bonds5

About N-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

N-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42634223) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID42634223
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC NameN-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1C
InChIInChI=1S/C17H16F3N5O2/c1-3-21-16(26)13-8-12-14(22-9-23-15(12)25(13)2)24-10-4-6-11(7-5-10)27-17(18,19)20/h4-9H,3H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyMJSGVZNKKXZLGC-UHFFFAOYSA-N
XLogP3.36
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-(4-(4-Methoxyphenyl)piperazin-1-yl)propyl)-2-(1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)acetamide
CID 44665680
7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
N-[7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 4905403
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,2,3-tetramethylimidazo[4,5-b]pyridine-6-carboxamide
CID 10743446
4-[[(3S,4R)-3-fluoro-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 162650738
2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenylamino)-N-(4-fluorophenyl)-N-methylnicotinamide
CID 16223313
3-(4-(4-(trifluoromethoxy)phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propanamide
CID 42634040
N-ethyl-4-(4-(trifluoromethoxy)phenylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42634390
Piperazin-1-yl(4-(4-(trifluoromethoxy)phenylamino)thieno[2,3-d]pyrimidin-6-yl)methanone
CID 42634392
(4-Methylpiperazin-1-yl)(4-(4-(trifluoromethoxy)phenylamino)thieno[2,3-d]pyrimidin-6-yl)methanone
CID 42634556
N-(3-methoxypropyl)-3-(4-(4-(trifluoromethoxy)phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propanamide
CID 49781880
N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52936150

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 42634223) is N-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1C.
What is the InChIKey of N-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MJSGVZNKKXZLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-3-21-16(26)13-8-12-14(22-9-23-15(12)25(13)2)24-10-4-6-11(7-5-10)27-17(18,19)20/h4-9H,3H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of N-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
N-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methyl-4-[4-(trifluoromethoxy)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42634223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).