(Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine

C24H21N5O2 — CID 89395185

IUPAC(Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1ccc(Oc2ccc(OCc3ccc(-n4cccn4)nc3)cc2)cc1
InChIInChI=1S/C24H21N5O2/c25-13-12-23(26)19-3-5-21(6-4-19)31-22-9-7-20(8-10-22)30-17-18-2-11-24(27-16-18)29-15-1-14-28-29/h1-16,25H,17,26H2/b23-12-,25-13+
InChIKeyFZPXOIDOSBETKV-GGSLTKKYSA-N
MW411.47 g/mol
LogP4.59
Rot. Bonds8

About (Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine

(Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine (PubChem CID 89395185) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is (Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine
PubChem CID89395185
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name(Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1ccc(Oc2ccc(OCc3ccc(-n4cccn4)nc3)cc2)cc1
InChIInChI=1S/C24H21N5O2/c25-13-12-23(26)19-3-5-21(6-4-19)31-22-9-7-20(8-10-22)30-17-18-2-11-24(27-16-18)29-15-1-14-28-29/h1-16,25H,17,26H2/b23-12-,25-13+
InChIKeyFZPXOIDOSBETKV-GGSLTKKYSA-N
XLogP4.59
TPSA99.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine (CID 89395185) is (Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine is [H]/N=C/C=C(\N)c1ccc(Oc2ccc(OCc3ccc(-n4cccn4)nc3)cc2)cc1.
What is the InChIKey of (Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine?
The InChIKey is FZPXOIDOSBETKV-GGSLTKKYSA-N. The full InChI is InChI=1S/C24H21N5O2/c25-13-12-23(26)19-3-5-21(6-4-19)31-22-9-7-20(8-10-22)30-17-18-2-11-24(27-16-18)29-15-1-14-28-29/h1-16,25H,17,26H2/b23-12-,25-13+.
What are the key properties of (Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine?
(Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine has a molecular weight of 411.47 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine is sourced from PubChem (CID 89395185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).