(1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine

C18H25F2N7 — CID 173470579

IUPAC(1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine
SMILESC=C(/C=C1/NC=CN/C1=C(/N)NCC1CNCCC1(F)F)c1cnn(C)c1
InChIInChI=1S/C18H25F2N7/c1-12(13-8-26-27(2)11-13)7-15-16(24-6-5-23-15)17(21)25-10-14-9-22-4-3-18(14,19)20/h5-8,11,14,22-25H,1,3-4,9-10,21H2,2H3/b15-7+,17-16-
InChIKeyMZFWAKQSQSWAHT-FAUZZMJXSA-N
MW377.44 g/mol
LogP0.94
Rot. Bonds5

About (1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine

(1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine (PubChem CID 173470579) has the molecular formula C18H25F2N7 and a molecular weight of 377.44 g/mol. Its IUPAC name is (1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine.

Molecular Properties

Compound Name(1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine
PubChem CID173470579
Molecular FormulaC18H25F2N7
Molecular Weight377.44 g/mol
Exact Mass377.21
IUPAC Name(1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine
SMILESC=C(/C=C1/NC=CN/C1=C(/N)NCC1CNCCC1(F)F)c1cnn(C)c1
InChIInChI=1S/C18H25F2N7/c1-12(13-8-26-27(2)11-13)7-15-16(24-6-5-23-15)17(21)25-10-14-9-22-4-3-18(14,19)20/h5-8,11,14,22-25H,1,3-4,9-10,21H2,2H3/b15-7+,17-16-
InChIKeyMZFWAKQSQSWAHT-FAUZZMJXSA-N
XLogP0.94
TPSA91.96 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 50.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine?
The IUPAC name of (1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine (CID 173470579) is (1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine.
What is the SMILES notation for (1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine?
The canonical SMILES for (1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine is C=C(/C=C1/NC=CN/C1=C(/N)NCC1CNCCC1(F)F)c1cnn(C)c1.
What is the InChIKey of (1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine?
The InChIKey is MZFWAKQSQSWAHT-FAUZZMJXSA-N. The full InChI is InChI=1S/C18H25F2N7/c1-12(13-8-26-27(2)11-13)7-15-16(24-6-5-23-15)17(21)25-10-14-9-22-4-3-18(14,19)20/h5-8,11,14,22-25H,1,3-4,9-10,21H2,2H3/b15-7+,17-16-.
What are the key properties of (1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine?
(1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine has a molecular weight of 377.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N'-[(4,4-difluoropiperidin-3-yl)methyl]-1-[(3E)-3-[2-(1-methylpyrazol-4-yl)prop-2-enylidene]-1,4-dihydropyrazin-2-ylidene]methanediamine is sourced from PubChem (CID 173470579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).