(2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine

C19H22F2N6 — CID 89370811

IUPAC(2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine
SMILESC=N/C(=C\C=C(\C)N)c1cc(N2CCC(F)(F)CC2)nn1-c1cccnc1
InChIInChI=1S/C19H22F2N6/c1-14(22)5-6-16(23-2)17-12-18(26-10-7-19(20,21)8-11-26)25-27(17)15-4-3-9-24-13-15/h3-6,9,12-13H,2,7-8,10-11,22H2,1H3/b14-5-,16-6-
InChIKeyGBZVEIPERNTZMO-ONYQNAODSA-N
MW372.42 g/mol
LogP3.41
Rot. Bonds5

About (2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine

(2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine (PubChem CID 89370811) has the molecular formula C19H22F2N6 and a molecular weight of 372.42 g/mol. Its IUPAC name is (2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine
PubChem CID89370811
Molecular FormulaC19H22F2N6
Molecular Weight372.42 g/mol
Exact Mass372.19
IUPAC Name(2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine
SMILESC=N/C(=C\C=C(\C)N)c1cc(N2CCC(F)(F)CC2)nn1-c1cccnc1
InChIInChI=1S/C19H22F2N6/c1-14(22)5-6-16(23-2)17-12-18(26-10-7-19(20,21)8-11-26)25-27(17)15-4-3-9-24-13-15/h3-6,9,12-13H,2,7-8,10-11,22H2,1H3/b14-5-,16-6-
InChIKeyGBZVEIPERNTZMO-ONYQNAODSA-N
XLogP3.41
TPSA72.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine (CID 89370811) is (2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine is C=N/C(=C\C=C(\C)N)c1cc(N2CCC(F)(F)CC2)nn1-c1cccnc1.
What is the InChIKey of (2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine?
The InChIKey is GBZVEIPERNTZMO-ONYQNAODSA-N. The full InChI is InChI=1S/C19H22F2N6/c1-14(22)5-6-16(23-2)17-12-18(26-10-7-19(20,21)8-11-26)25-27(17)15-4-3-9-24-13-15/h3-6,9,12-13H,2,7-8,10-11,22H2,1H3/b14-5-,16-6-.
What are the key properties of (2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine?
(2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine has a molecular weight of 372.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-[3-(4,4-difluoropiperidin-1-yl)-1-pyridin-3-ylpyrazol-5-yl]-5-(methylideneamino)penta-2,4-dien-2-amine is sourced from PubChem (CID 89370811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).