6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile

C20H27FN6 — CID 134187814

IUPAC6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile
SMILESCCC/C(=C\c1c(CC)nn(C)c1CF)CNc1nc(N)c(C)cc1C#N
InChIInChI=1S/C20H27FN6/c1-5-7-14(9-16-17(6-2)26-27(4)18(16)10-21)12-24-20-15(11-22)8-13(3)19(23)25-20/h8-9H,5-7,10,12H2,1-4H3,(H3,23,24,25)/b14-9+
InChIKeyQBWKGFMCJSFXCU-NTEUORMPSA-N
MW370.48 g/mol
LogP3.90
Rot. Bonds8

About 6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile

6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile (PubChem CID 134187814) has the molecular formula C20H27FN6 and a molecular weight of 370.48 g/mol. Its IUPAC name is 6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile
PubChem CID134187814
Molecular FormulaC20H27FN6
Molecular Weight370.48 g/mol
Exact Mass370.23
IUPAC Name6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile
SMILESCCC/C(=C\c1c(CC)nn(C)c1CF)CNc1nc(N)c(C)cc1C#N
InChIInChI=1S/C20H27FN6/c1-5-7-14(9-16-17(6-2)26-27(4)18(16)10-21)12-24-20-15(11-22)8-13(3)19(23)25-20/h8-9H,5-7,10,12H2,1-4H3,(H3,23,24,25)/b14-9+
InChIKeyQBWKGFMCJSFXCU-NTEUORMPSA-N
XLogP3.90
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile?
The IUPAC name of 6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile (CID 134187814) is 6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile is CCC/C(=C\c1c(CC)nn(C)c1CF)CNc1nc(N)c(C)cc1C#N.
What is the InChIKey of 6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile?
The InChIKey is QBWKGFMCJSFXCU-NTEUORMPSA-N. The full InChI is InChI=1S/C20H27FN6/c1-5-7-14(9-16-17(6-2)26-27(4)18(16)10-21)12-24-20-15(11-22)8-13(3)19(23)25-20/h8-9H,5-7,10,12H2,1-4H3,(H3,23,24,25)/b14-9+.
What are the key properties of 6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile?
6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile has a molecular weight of 370.48 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[[(2E)-2-[[3-ethyl-5-(fluoromethyl)-1-methylpyrazol-4-yl]methylidene]pentyl]amino]-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 134187814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).