(2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine

C26H20FN3 — CID 146409711

IUPAC(2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine
SMILESC=c1/c(=C/C2=CC=CC2)nc2c(Cc3ccc(F)cc3)nc(-c3ccccc3)cn12
InChIInChI=1S/C26H20FN3/c1-18-23(15-19-7-5-6-8-19)29-26-24(16-20-11-13-22(27)14-12-20)28-25(17-30(18)26)21-9-3-2-4-10-21/h2-7,9-15,17H,1,8,16H2/b23-15-
InChIKeyMIDQIINAQUWVRV-HAHDFKILSA-N
MW393.47 g/mol
LogP4.20
Rot. Bonds4

About (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine

(2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine (PubChem CID 146409711) has the molecular formula C26H20FN3 and a molecular weight of 393.47 g/mol. Its IUPAC name is (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine
PubChem CID146409711
Molecular FormulaC26H20FN3
Molecular Weight393.47 g/mol
Exact Mass393.16
IUPAC Name(2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine
SMILESC=c1/c(=C/C2=CC=CC2)nc2c(Cc3ccc(F)cc3)nc(-c3ccccc3)cn12
InChIInChI=1S/C26H20FN3/c1-18-23(15-19-7-5-6-8-19)29-26-24(16-20-11-13-22(27)14-12-20)28-25(17-30(18)26)21-9-3-2-4-10-21/h2-7,9-15,17H,1,8,16H2/b23-15-
InChIKeyMIDQIINAQUWVRV-HAHDFKILSA-N
XLogP4.20
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine?
The IUPAC name of (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine (CID 146409711) is (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine.
What is the SMILES notation for (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine?
The canonical SMILES for (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine is C=c1/c(=C/C2=CC=CC2)nc2c(Cc3ccc(F)cc3)nc(-c3ccccc3)cn12.
What is the InChIKey of (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine?
The InChIKey is MIDQIINAQUWVRV-HAHDFKILSA-N. The full InChI is InChI=1S/C26H20FN3/c1-18-23(15-19-7-5-6-8-19)29-26-24(16-20-11-13-22(27)14-12-20)28-25(17-30(18)26)21-9-3-2-4-10-21/h2-7,9-15,17H,1,8,16H2/b23-15-.
What are the key properties of (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine?
(2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine has a molecular weight of 393.47 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 146409711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).