4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine

C14H17F3N6 — CID 151276200

IUPAC4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine
SMILESCCC1(N)C=C(Nc2ccn(C)n2)NC2=NCC(C(F)(F)F)=C21
InChIInChI=1S/C14H17F3N6/c1-3-13(18)6-10(20-9-4-5-23(2)22-9)21-12-11(13)8(7-19-12)14(15,16)17/h4-6H,3,7,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNXJYLTVQUGSNBT-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.66
Rot. Bonds3

About 4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine

4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine (PubChem CID 151276200) has the molecular formula C14H17F3N6 and a molecular weight of 326.33 g/mol. Its IUPAC name is 4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine.

Molecular Properties

Compound Name4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine
PubChem CID151276200
Molecular FormulaC14H17F3N6
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC Name4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine
SMILESCCC1(N)C=C(Nc2ccn(C)n2)NC2=NCC(C(F)(F)F)=C21
InChIInChI=1S/C14H17F3N6/c1-3-13(18)6-10(20-9-4-5-23(2)22-9)21-12-11(13)8(7-19-12)14(15,16)17/h4-6H,3,7,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNXJYLTVQUGSNBT-UHFFFAOYSA-N
XLogP1.66
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 151167383
4-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 151478517
4-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 153928362
4-ethyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 153928373
4-ethyl-6-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine
CID 152298184
4-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 153928361
5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine
CID 136621012
6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine
CID 145343959
N-[(4-aminocyclopent-2-en-1-yl)methyl]-2-methylpyrazol-3-amine
CID 103542576

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine?
The IUPAC name of 4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine (CID 151276200) is 4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine.
What is the SMILES notation for 4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine?
The canonical SMILES for 4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine is CCC1(N)C=C(Nc2ccn(C)n2)NC2=NCC(C(F)(F)F)=C21.
What is the InChIKey of 4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine?
The InChIKey is NXJYLTVQUGSNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6/c1-3-13(18)6-10(20-9-4-5-23(2)22-9)21-12-11(13)8(7-19-12)14(15,16)17/h4-6H,3,7,18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine?
4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine has a molecular weight of 326.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-2,7-dihydropyrrolo[2,3-b]pyridine-4,6-diamine is sourced from PubChem (CID 151276200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).