(2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine

C19H25FN6 — CID 134187790

IUPAC(2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine
SMILESC=C(N)C(=C/C(F)=C(\C)N)/C(=C/C)Nc1cnc(CC)c2c1cnn2C
InChIInChI=1S/C19H25FN6/c1-6-16(13(11(3)21)8-15(20)12(4)22)25-18-10-23-17(7-2)19-14(18)9-24-26(19)5/h6,8-10,25H,3,7,21-22H2,1-2,4-5H3/b13-8-,15-12-,16-6-
InChIKeyKLVJUYKUBOGEQB-ZSXYCNKHSA-N
MW356.45 g/mol
LogP3.40
Rot. Bonds6

About (2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine

(2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine (PubChem CID 134187790) has the molecular formula C19H25FN6 and a molecular weight of 356.45 g/mol. Its IUPAC name is (2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine.

Molecular Properties

Compound Name(2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine
PubChem CID134187790
Molecular FormulaC19H25FN6
Molecular Weight356.45 g/mol
Exact Mass356.21
IUPAC Name(2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine
SMILESC=C(N)C(=C/C(F)=C(\C)N)/C(=C/C)Nc1cnc(CC)c2c1cnn2C
InChIInChI=1S/C19H25FN6/c1-6-16(13(11(3)21)8-15(20)12(4)22)25-18-10-23-17(7-2)19-14(18)9-24-26(19)5/h6,8-10,25H,3,7,21-22H2,1-2,4-5H3/b13-8-,15-12-,16-6-
InChIKeyKLVJUYKUBOGEQB-ZSXYCNKHSA-N
XLogP3.40
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine with MolForge

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Related Compounds

3-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine
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1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
7-Fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 134611927
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45268355
N-(2-(2,5-difluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670693
N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine
CID 54673065

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine?
The IUPAC name of (2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine (CID 134187790) is (2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine.
What is the SMILES notation for (2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine?
The canonical SMILES for (2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine is C=C(N)C(=C/C(F)=C(\C)N)/C(=C/C)Nc1cnc(CC)c2c1cnn2C.
What is the InChIKey of (2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine?
The InChIKey is KLVJUYKUBOGEQB-ZSXYCNKHSA-N. The full InChI is InChI=1S/C19H25FN6/c1-6-16(13(11(3)21)8-15(20)12(4)22)25-18-10-23-17(7-2)19-14(18)9-24-26(19)5/h6,8-10,25H,3,7,21-22H2,1-2,4-5H3/b13-8-,15-12-,16-6-.
What are the key properties of (2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine?
(2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine has a molecular weight of 356.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-5-(1-aminoethenyl)-6-N-(7-ethyl-1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-fluoroocta-2,4,6-triene-2,6-diamine is sourced from PubChem (CID 134187790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).